Geometry & MOs

Info

ID:	174021
PubChem CID:	75713075
Reduced:	NOC12H22 (2)
Stoich.:	ABC12D22 (2)
Weight, g/mol:	450.255229
ΔH_f, kcal/mol:	-159.02
Dipole, Da:	6.61
IP(EA), eV:	-9.18(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[hexyl(pentanoyl)amino]-N-[(4-methylphenyl)sulfonylmethyl]pent-3-enamide

Drug info:

PubChemData

Smile

CCCCCCN(C(C=CCCC)C(=O)NC1CCCCC1)C(=O)CCCC

DOS

IR

Vibrations