Geometry & MOs

Info

ID:	30648
PubChem CID:	841619
Reduced:	SN3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	296.079707
ΔH_f, kcal/mol:	36.91
Dipole, Da:	5.74
IP(EA), eV:	-8.63(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(Z)-3-amino-2-cyano-3-oxoprop-1-enyl]furan-2-yl]-2-methylbenzoic acid

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@@]2(C1)NC(=S)N(N2)C3=CC=CC=C3

DOS

IR

Vibrations