Geometry & MOs

Info

ID:	369846
PubChem CID:	127336440
Reduced:	N3O4C19H25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	321.139865
ΔH_f, kcal/mol:	-157.45
Dipole, Da:	1.12
IP(EA), eV:	-9.38(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropyl-2-phenylethyl)-1,1-dioxothiane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C3CCN(C(=O)C3)C

DOS

IR

Vibrations