Geometry & MOs

Info

ID:

91660

PubChem CID:

49978041

Reduced:

N6O7C37H44 (1)

Stoich.:

A6B7C37D44 (1)

Weight, g/mol:

603.201525

ΔHf, kcal/mol:

-234.96

Dipole, Da:

15.96

IP(EA), eV:

 -8.72(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2,4-dichloroanilino)-2-oxoethyl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)OC

DOS

IR

Vibrations