Geometry & MOs

Info

ID:	432030
PubChem CID:	135172162
Reduced:	NSC7H9 (1)
Stoich.:	ABC7D9 (1)
Weight, g/mol:	155.040485
ΔH_f, kcal/mol:	31.29
Dipole, Da:	3.62
IP(EA), eV:	-8.81(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-2-oxothiepane-3-carbonitrile

Drug info:

PubChemData

Smile

CC1(CCSC1=C)C#N

DOS

IR

Vibrations