Geometry & MOs

Info

ID:

93716

PubChem CID:

49996321

Reduced:

O5N6C38H54 (1)

Stoich.:

A5B6C38D54 (1)

Weight, g/mol:

726.390497

ΔHf, kcal/mol:

-243.19

Dipole, Da:

9.04

IP(EA), eV:

 -9.01(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(4-fluorophenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4C)C

DOS

IR

Vibrations