Geometry & MOs

Info

ID:	129031
PubChem CID:	51067229
Reduced:	SN3O5C22H27 (1)
Stoich.:	AB3C5D22E27 (1)
Weight, g/mol:	425.140927
ΔH_f, kcal/mol:	-172.53
Dipole, Da:	2.34
IP(EA), eV:	-8.76(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-N-[3-[[4-(2-methoxyethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(=O)CN2C(=CSC2=NC(=O)C3=CC(=CC=C3)OC)C

DOS

IR

Vibrations