Geometry & MOs

Info

ID:	54563
PubChem CID:	17388904
Reduced:	O2S2N4H20C21 (1)
Stoich.:	A2B2C4D20E21 (1)
Weight, g/mol:	358.152872
ΔH_f, kcal/mol:	-3.64
Dipole, Da:	7.73
IP(EA), eV:	-8.58(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CC3C(=O)N=C(S3)NC4=CC=CC=C4

DOS

IR

Vibrations