Geometry & MOs

Info

ID:	338837
PubChem CID:	127259848
Reduced:	SN2O2H14C16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	304.124549
ΔH_f, kcal/mol:	64.98
Dipole, Da:	5.66
IP(EA), eV:	-8.77(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-4-[(E)-2-nitroprop-1-enyl]benzenecarbothioamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=S)C2=CC=CC(=C2)/C=C/[N+](=O)[O-]

DOS

IR

Vibrations