Geometry & MOs

Info

ID:

94749

PubChem CID:

50003604

Reduced:

O5N6C37H54 (1)

Stoich.:

A5B6C37D54 (1)

Weight, g/mol:

704.426134

ΔHf, kcal/mol:

-245.77

Dipole, Da:

7.95

IP(EA), eV:

 -8.92(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[2-methoxy-5-(4-methylpiperidine-1-carbonyl)anilino]-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)NCC(C)C)C

DOS

IR

Vibrations