Geometry & MOs

Info

ID:

94933

PubChem CID:

50005056

Reduced:

O5N6C33H46 (1)

Stoich.:

A5B6C33D46 (1)

Weight, g/mol:

684.363533

ΔHf, kcal/mol:

-220.61

Dipole, Da:

9.24

IP(EA), eV:

 -8.56(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[4-[(4-methoxybenzoyl)amino]-3-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)NC(=O)C(C)C

DOS

IR

Vibrations