Geometry & MOs

Info

ID:

107925

PubChem CID:

50224353

Reduced:

N6O6C35H48 (1)

Stoich.:

A6B6C35D48 (1)

Weight, g/mol:

674.415569

ΔHf, kcal/mol:

-240.61

Dipole, Da:

3.68

IP(EA), eV:

 -9.01(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[3-[(2-methylcyclohexyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3)C(=O)N4CCOCC4)C

DOS

IR

Vibrations