Geometry & MOs

Info

ID:

94698

PubChem CID:

50003350

Reduced:

ClO5N6C32H43 (1)

Stoich.:

AB5C6D32E43 (1)

Weight, g/mol:

700.374847

ΔHf, kcal/mol:

-226.86

Dipole, Da:

7.88

IP(EA), eV:

 -8.89(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[4-[(4-fluorobenzoyl)amino]-3-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)C(=O)N)Cl

DOS

IR

Vibrations