Geometry & MOs

Info

ID:	110543
PubChem CID:	50329175
Reduced:	ClO3N4C26H33 (1)
Stoich.:	AB3C4D26E33 (1)
Weight, g/mol:	766.329039
ΔH_f, kcal/mol:	-114.25
Dipole, Da:	5.83
IP(EA), eV:	-8.85(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3-fluorophenyl)carbamoyl]-2-methoxyphenyl]-1-[1-[1-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

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=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C(=CC=C3)Cl)C)C(=O)N(C)C

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=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C(=CC=C3)Cl)C)C(=O)N(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):