Geometry & MOs

Info

ID:	54703
PubChem CID:	17389127
Reduced:	S3N4O4C36H36 (1)
Stoich.:	A3B4C4D36E36 (1)
Weight, g/mol:	192.089878
ΔH_f, kcal/mol:	0.67
Dipole, Da:	6.86
IP(EA), eV:	-8.19(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-ethylideneamino]-4-methoxybenzamide

Drug info:

PubChemData

Smile

CC(C(=O)N/N=C/C1=C(SC(=C1/C=N/NC(=O)C(C2=CC3=C(C=C(C=C3)OC)C=C2)C)SC)SC)C4=CC5=C(C=C(C=C5)OC)C=C4

DOS

IR

Vibrations