Geometry & MOs

Info

ID:	28337
PubChem CID:	827083
Reduced:	NOS2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	286.077599
ΔH_f, kcal/mol:	2.27
Dipole, Da:	5.64
IP(EA), eV:	-8.24(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-yl)-N-[(3-methylphenyl)carbamothioyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)CCC[C@@]1(C2=C(SCC3=CC=CC=C31)SC=C2)O

DOS

IR

Vibrations