Geometry & MOs

Info

ID:	37401
PubChem CID:	8020696
Reduced:	O4H13C17 (1)
Stoich.:	A4B13C17 (1)
Weight, g/mol:	366.124943
ΔH_f, kcal/mol:	-38.87
Dipole, Da:	5.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.784538
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)C(=O)[O-]

DOS

IR

Vibrations