Geometry & MOs

Info

ID:

107060

PubChem CID:

50187453

Reduced:

N6O7C36H48 (1)

Stoich.:

A6B7C36D48 (1)

Weight, g/mol:

674.379183

ΔHf, kcal/mol:

-279.67

Dipole, Da:

6.73

IP(EA), eV:

 -8.87(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-(cyclopentylcarbamoyl)-2-methylanilino]-3-oxopropyl]-1-[1-[2-methyl-4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4C)C(=O)N5CCOCC5

DOS

IR

Vibrations