Geometry & MOs

Info

ID:

107298

PubChem CID:

50197960

Reduced:

O5N6C35H48 (1)

Stoich.:

A5B6C35D48 (1)

Weight, g/mol:

710.379183

ΔHf, kcal/mol:

-232.53

Dipole, Da:

6.39

IP(EA), eV:

 -8.9(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[3-[(2-methylbenzoyl)amino]anilino]-1-oxobutan-2-yl]-1-[1-[2-methyl-4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4CCCCC4)C)NC(=O)C(C)C

DOS

IR

Vibrations