Geometry & MOs

Info

ID:	306518
PubChem CID:	125085018
Reduced:	ClFSN3O4C35H37 (1)
Stoich.:	ABCD3E4F35G37 (1)
Weight, g/mol:	561.102261
ΔH_f, kcal/mol:	-146.61
Dipole, Da:	5.47
IP(EA), eV:	-8.98(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-(2-methylpropyl)propanamide

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

CC1=CC(=CC=C1)N(CC(=O)N(CC2=CC=C(C=C2)F)[C@H](CC3=CC=CC=C3)C(=O)NCC(C)C)S(=O)(=O)C4=CC=C(C=C4)Cl

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

CC1=CC(=CC=C1)N(CC(=O)N(CC2=CC=C(C=C2)F)[C@H](CC3=CC=CC=C3)C(=O)NCC(C)C)S(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):