Geometry & MOs

Info

ID:	139116
PubChem CID:	52475574
Reduced:	ClSN4O5H13C19 (1)
Stoich.:	ABC4D5E13F19 (1)
Weight, g/mol:	420.036913
ΔH_f, kcal/mol:	-34.35
Dipole, Da:	8.44
IP(EA), eV:	-9.34(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C=CSC2=NC(=O)CN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O)Cl

DOS

IR

Vibrations