Geometry & MOs

Info

ID:

114822

PubChem CID:

50497637

Reduced:

SF2O4N5C32H35 (1)

Stoich.:

AB2C4D5E32F35 (1)

Weight, g/mol:

692.288924

ΔHf, kcal/mol:

-212.77

Dipole, Da:

2.94

IP(EA), eV:

 -8.36(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=CC=C3)SC)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations