Geometry & MOs

Info

ID:	234294
PubChem CID:	92298116
Reduced:	SN3O5H13C17 (1)
Stoich.:	AB3C5D13E17 (1)
Weight, g/mol:	373.109627
ΔH_f, kcal/mol:	-33.45
Dipole, Da:	7.88
IP(EA), eV:	-9.1(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(4-ethoxyphenyl)-5-oxo-N'-(thiophene-2-carbonyl)pyrrolidine-3-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)/C=C(/C#N)\C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCO3

DOS

IR

Vibrations