Geometry & MOs

Info

ID:	387227
PubChem CID:	134984497
Reduced:	PSO2C20H25 (1)
Stoich.:	ABC2D20E25 (1)
Weight, g/mol:	350.985405
ΔH_f, kcal/mol:	-101.69
Dipole, Da:	7.7
IP(EA), eV:	-9.22(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-N,2,4-trinitroanilino)ethyl nitrate

Drug info:

PubChemData

Smile

CCCP(=O)(CCC)SC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations