Geometry & MOs

Info

ID:	243158
PubChem CID:	99216134
Reduced:	SN3O4H21C22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	422.130028
ΔH_f, kcal/mol:	-101.91
Dipole, Da:	1.38
IP(EA), eV:	-8.98(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enylcarbamoyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)[C@@H]2CSCN2C(=O)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations