Geometry & MOs

Info

ID:

91584

PubChem CID:

49977141

Reduced:

N6O7C38H46 (1)

Stoich.:

A6B7C38D46 (1)

Weight, g/mol:

654.293261

ΔHf, kcal/mol:

-250.45

Dipole, Da:

11.14

IP(EA), eV:

 -8.46(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(propan-2-ylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=CC=C5C

DOS

IR

Vibrations