Geometry & MOs

Info

ID:

114089

PubChem CID:

50471129

Reduced:

F2N5O5C33H35 (1)

Stoich.:

A2B5C5D33E35 (1)

Weight, g/mol:

728.369761

ΔHf, kcal/mol:

-251.43

Dipole, Da:

6.95

IP(EA), eV:

 -9.07(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-(cyclohexylcarbamoyl)-2-methoxyanilino]-2-oxoethyl]-1-[1-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations