Geometry & MOs

Info

ID:	37165
PubChem CID:	8017752
Reduced:	Cl2N2O3H12C15 (1)
Stoich.:	A2B2C3D12E15 (1)
Weight, g/mol:	396.101802
ΔH_f, kcal/mol:	-85.56
Dipole, Da:	2.57
IP(EA), eV:	-8.95(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(E)-4-(1,3-benzothiazol-2-yl)-5-[4-(dimethylamino)-3-nitrophenyl]pent-4-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CN=C(C=C2)Cl)Cl

DOS

IR

Vibrations