Geometry & MOs

Info

ID:

107562

PubChem CID:

50208781

Reduced:

N6O6C41H58 (1)

Stoich.:

A6B6C41D58 (1)

Weight, g/mol:

690.410483

ΔHf, kcal/mol:

-273.96

Dipole, Da:

4.01

IP(EA), eV:

 -8.9(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-methoxy-5-(propylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)OC)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5CCCCC5C)C

DOS

IR

Vibrations