Geometry & MOs

Info

ID:	209883
PubChem CID:	80734476
Reduced:	NS2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	350.97504
ΔH_f, kcal/mol:	47.71
Dipole, Da:	1.33
IP(EA), eV:	-8.56(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-4-isocyanatopiperidine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(C2=CC3=C(S2)C=CS3)N)C

DOS

IR

Vibrations