Geometry & MOs

Info

ID:	50512
PubChem CID:	12013056
Reduced:	NO5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	318.906204
ΔH_f, kcal/mol:	-198.77
Dipole, Da:	4.8
IP(EA), eV:	-9.61(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-dithiepane

Drug info:

PubChemData

Smile

CC(=O)[C@@](C)([C@](C1=CC=CC=C1)(C(=O)OC)O)NC(=O)C

DOS

IR

Vibrations