Geometry & MOs

Info

ID:	234293
PubChem CID:	92298114
Reduced:	ON3C23H25 (1)
Stoich.:	AB3C23D25 (1)
Weight, g/mol:	371.057592
ΔH_f, kcal/mol:	16.42
Dipole, Da:	0.95
IP(EA), eV:	-8.8(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-3-(3-methylthiophen-2-yl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)N2CCN3C=CC=C3[C@@H]2C4=CC=CC=C4C

DOS

IR

Vibrations