Geometry & MOs

Info

ID:	39614
PubChem CID:	8141657
Reduced:	SO2N3C24H29 (1)
Stoich.:	AB2C3D24E29 (1)
Weight, g/mol:	394.980126
ΔH_f, kcal/mol:	-75.62
Dipole, Da:	6.04
IP(EA), eV:	-8.54(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=CSC(=N2)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)NC(=O)C

DOS

IR

Vibrations