Geometry & MOs

Info

ID:	29123
PubChem CID:	831718
Reduced:	ClN2O2C18H27 (1)
Stoich.:	AB2C2D18E27 (1)
Weight, g/mol:	337.968354
ΔH_f, kcal/mol:	-114.28
Dipole, Da:	3.36
IP(EA), eV:	-8.99(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dichloro-N-(furan-3-ylmethylideneamino)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC(=O)NC2CC(NC(C2)(C)C)(C)C)Cl

DOS

IR

Vibrations