Geometry & MOs

Info

ID:

100566

PubChem CID:

50062347

Reduced:

F2N5O5C33H37 (1)

Stoich.:

A2B5C5D33E37 (1)

Weight, g/mol:

744.263852

ΔHf, kcal/mol:

-257.16

Dipole, Da:

11.36

IP(EA), eV:

 -8.66(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(4-chlorobenzoyl)amino]-3-methylanilino]-3-oxopropyl]-1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC=C4F)F)C

DOS

IR

Vibrations