Geometry & MOs

Info

ID:

111098

PubChem CID:

50352086

Reduced:

O5N6C38H48 (1)

Stoich.:

A5B6C38D48 (1)

Weight, g/mol:

684.363533

ΔHf, kcal/mol:

-191.46

Dipole, Da:

5.22

IP(EA), eV:

 -8.87(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(4-methoxybenzoyl)amino]-3-methylanilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=CC=C4C)C

DOS

IR

Vibrations