Geometry & MOs

Info

ID:	134698
PubChem CID:	51740312
Reduced:	N2O5C23H34 (1)
Stoich.:	A2B5C23D34 (1)
Weight, g/mol:	476.270879
ΔH_f, kcal/mol:	-251.1
Dipole, Da:	3.5
IP(EA), eV:	-9.16(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2S)-2-[cyclohexyl(pentanoyl)amino]-N-[(4-methylphenyl)sulfonylmethyl]hept-3-enamide

Drug info:

PubChemData

Smile

CCC(=O)N(C1CCCCC1)[C@@H](C2=C(C=C(C=C2O)O)O)C(=O)NC3CCCCC3

DOS

IR

Vibrations