Geometry & MOs

Info

ID:

120509

PubChem CID:

50730749

Reduced:

ClF2O4N5H30C34 (1)

Stoich.:

AB2C4D5E30F34 (1)

Weight, g/mol:

742.268189

ΔHf, kcal/mol:

-174.11

Dipole, Da:

9.76

IP(EA), eV:

 -8.78(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[1-[3-[(4-fluorobenzoyl)amino]-4-methoxyanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC=CC=C2C(=O)NC3=C(C=CC=C3F)F)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations