Geometry & MOs

Info

ID:	129032
PubChem CID:	51067297
Reduced:	SN3O4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	403.07574
ΔH_f, kcal/mol:	-76.87
Dipole, Da:	4.56
IP(EA), eV:	-8.88(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(3-chlorobenzoyl)imino-5-methyl-1,3-thiazol-3-yl]methyl]-N,N-dimethylfuran-2-carboxamide

Drug info:

PubChemData

Smile

COCCNC(=O)C1=CC=C(C=C1)CN2C=CSC2=NC(=O)C3=CC(=CC=C3)OC

DOS

IR

Vibrations