Geometry & MOs

Info

ID:

92982

PubChem CID:

49990885

Reduced:

O5N6C38H54 (1)

Stoich.:

A5B6C38D54 (1)

Weight, g/mol:

728.462519

ΔHf, kcal/mol:

-233.1

Dipole, Da:

2.86

IP(EA), eV:

 -8.76(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)C(=O)N(C)C)C

DOS

IR

Vibrations