Geometry & MOs

Info

ID:	434560
PubChem CID:	135175210
Reduced:	BrClSF2N4O4H26C27 (1)
Stoich.:	ABCD2E4F4G26H27 (1)
Weight, g/mol:	587.13773
ΔH_f, kcal/mol:	-93.65
Dipole, Da:	9.71
IP(EA), eV:	-9.59(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-4-[(1R)-1-bromoethyl]-3,3-difluoro-4-methyl-1-oxohex-5-en-2-yl]-2-methylindazole-5-sulfonamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1CC2CC(CC1N2C(=O)[C@H](C(C3=CC=C(C=C3)Br)(F)F)NS(=O)(=O)C4=CC=C(C=C4)OC5=NC=C(C=C5)Cl)N

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1CC2CC(CC1N2C(=O)[C@H](C(C3=CC=C(C=C3)Br)(F)F)NS(=O)(=O)C4=CC=C(C=C4)OC5=NC=C(C=C5)Cl)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):