Geometry & MOs

Info

ID:	32466
PubChem CID:	7837294
Reduced:	SN2O5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	293.101171
ΔH_f, kcal/mol:	-181.75
Dipole, Da:	5.89
IP(EA), eV:	-9.71(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-2-oxoethyl) 5-nitro-2-pyrrolidin-1-ylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)C(=O)OCC(=O)NCC(C)C

DOS

IR

Vibrations