Geometry & MOs

Info

ID:	41025
PubChem CID:	8145136
Reduced:	S2O3N4C16H23 (1)
Stoich.:	A2B3C4D16E23 (1)
Weight, g/mol:	371.148121
ΔH_f, kcal/mol:	-49.24
Dipole, Da:	7.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.812680
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2Z)-2-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CC[NH+](CC1)CN2C(=S)OC(=N2)CC3=CSC(=N3)C

DOS

IR

Vibrations