Geometry & MOs

Info

ID:

112617

PubChem CID:

50413475

Reduced:

O5N6C35H40 (1)

Stoich.:

A5B6C35D40 (1)

Weight, g/mol:

670.327897

ΔHf, kcal/mol:

-157.16

Dipole, Da:

9.31

IP(EA), eV:

 -8.7(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-carbamoyl-6-methylphenyl)-1-[1-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4C(=O)NC5=CC=CC=C5)C(=O)NC

DOS

IR

Vibrations