Geometry & MOs

Info

ID:

110410

PubChem CID:

50323634

Reduced:

O5N6C35H50 (1)

Stoich.:

A5B6C35D50 (1)

Weight, g/mol:

728.369761

ΔHf, kcal/mol:

-241.04

Dipole, Da:

5.95

IP(EA), eV:

 -8.89(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[4-(morpholine-4-carbonyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC(C)C)C

DOS

IR

Vibrations