Geometry & MOs

Info

ID:	40974
PubChem CID:	8145046
Reduced:	SO2N5C22H25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	304.070405
ΔH_f, kcal/mol:	13.05
Dipole, Da:	2.04
IP(EA), eV:	-8.38(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylphenyl)methylsulfanyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations