Geometry & MOs

Info

ID:	195892
PubChem CID:	78745787
Reduced:	SN4O4C20H20 (1)
Stoich.:	AB4C4D20E20 (1)
Weight, g/mol:	372.023849
ΔH_f, kcal/mol:	-24.42
Dipole, Da:	2.83
IP(EA), eV:	-8.82(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(3-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)N(C)C3=CC=CC=C3)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations