Geometry & MOs

Info

ID:	129033
PubChem CID:	51067388
Reduced:	ClSN3O3H18C19 (1)
Stoich.:	ABC3D3E18F19 (1)
Weight, g/mol:	472.178041
ΔH_f, kcal/mol:	-45.69
Dipole, Da:	4.66
IP(EA), eV:	-8.95(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(3,4-dimethoxybenzoyl)imino-5-methyl-1,3-thiazol-3-yl]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(C(=NC(=O)C2=CC(=CC=C2)Cl)S1)CC3=CC=C(O3)C(=O)N(C)C

DOS

IR

Vibrations