Geometry & MOs

Info

ID:

112660

PubChem CID:

50414739

Reduced:

F2O4N5C31H33 (1)

Stoich.:

A2B4C5D31E33 (1)

Weight, g/mol:

672.282696

ΔHf, kcal/mol:

-204.19

Dipole, Da:

7.37

IP(EA), eV:

 -9.19(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(4-chlorobenzoyl)amino]-4-methylphenyl]-1-[1-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)N(C)C)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations