Geometry & MOs

Info

ID:	167835
PubChem CID:	74883938
Reduced:	SO2N4C9H14 (1)
Stoich.:	AB2C4D9E14 (1)
Weight, g/mol:	291.121906
ΔH_f, kcal/mol:	-34.38
Dipole, Da:	4.48
IP(EA), eV:	-9.25(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxypyrrolidin-3-yl)-N-methyl-3-(3-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=O)N(C)C2CNCC2O

DOS

IR

Vibrations