Geometry & MOs

Info

ID:

93344

PubChem CID:

49993792

Reduced:

SO4N5C32H43 (1)

Stoich.:

AB4C5D32E43 (1)

Weight, g/mol:

645.38902

ΔHf, kcal/mol:

-167.72

Dipole, Da:

9.13

IP(EA), eV:

 -8.31(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(cyclohexylcarbamoyl)-2-methoxyphenyl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=CC=C4)SC

DOS

IR

Vibrations