Geometry & MOs

Info

ID:	60697
PubChem CID:	26697443
Reduced:	N2S2O5C16H22 (1)
Stoich.:	A2B2C5D16E22 (1)
Weight, g/mol:	229.146664
ΔH_f, kcal/mol:	-198.09
Dipole, Da:	10.38
IP(EA), eV:	-10.24(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-cyclopentyl-3-(3-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N[C@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations