Geometry & MOs

Info

ID:

102921

PubChem CID:

50070208

Reduced:

F2O4N5H33C35 (1)

Stoich.:

A2B4C5D33E35 (1)

Weight, g/mol:

744.263852

ΔHf, kcal/mol:

-173.67

Dipole, Da:

8.27

IP(EA), eV:

 -9.01(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-[(4-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations