Geometry & MOs

Info

ID:	147551
PubChem CID:	53787207
Reduced:	NO4H13C16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	416.082427
ΔH_f, kcal/mol:	-119.69
Dipole, Da:	5.66
IP(EA), eV:	-9.1(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-nitrophenyl)methyl 2-[[methyl(methylsulfonyl)hydrazinylidene]methylsulfanyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C(C(=O)N2)C3=CC(=CC=C3)O)C(=C1)O

DOS

IR

Vibrations