Geometry & MOs

Info

ID:

107362

PubChem CID:

50200407

Reduced:

O5N6C41H54 (1)

Stoich.:

A5B6C41D54 (1)

Weight, g/mol:

710.415569

ΔHf, kcal/mol:

-216.54

Dipole, Da:

7.99

IP(EA), eV:

 -8.6(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[4-methyl-3-[(4-methylbenzoyl)amino]anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)C)NC(=O)C4=CC=CC=C4C)C

DOS

IR

Vibrations