Geometry & MOs

Info

ID:	238608
PubChem CID:	92763388
Reduced:	ClSN2O2C20H23 (1)
Stoich.:	ABC2D2E20F23 (1)
Weight, g/mol:	361.019098
ΔH_f, kcal/mol:	-24.11
Dipole, Da:	3.81
IP(EA), eV:	-8.55(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 4-amino-3-nitrobenzoate

Drug info:

PubChemData

Smile

C1CN(CCN1CCO)[C@@H]2CC3=CC=CC=C3[S@](=O)C4=C2C=C(C=C4)Cl

DOS

IR

Vibrations