Geometry & MOs

Info

ID:

94417

PubChem CID:

50000844

Reduced:

ClO5N6C43H53 (1)

Stoich.:

AB5C6D43E53 (1)

Weight, g/mol:

674.379183

ΔHf, kcal/mol:

-197.57

Dipole, Da:

7.82

IP(EA), eV:

 -8.57(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-carbamoyl-2-methoxyphenyl)-1-[1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C(=O)NC6=CC=CC=C6C)Cl

DOS

IR

Vibrations