Geometry & MOs

Info

ID:

93843

PubChem CID:

49997142

Reduced:

O4N5C33H45 (1)

Stoich.:

A4B5C33D45 (1)

Weight, g/mol:

617.394105

ΔHf, kcal/mol:

-175.27

Dipole, Da:

11.17

IP(EA), eV:

 -8.63(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(diethylcarbamoyl)-2-methylphenyl]-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NC)C

DOS

IR

Vibrations