Geometry & MOs

Info

ID:	52813
PubChem CID:	14708995
Reduced:	BrSN2O3H19C22 (1)
Stoich.:	ABC2D3E19F22 (1)
Weight, g/mol:	381.078327
ΔH_f, kcal/mol:	-53.13
Dipole, Da:	8.03
IP(EA), eV:	-8.12(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-amino-2-(4-nitrophenyl)thieno[3,2-a]indolizine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C(=C3N1C=C(C=C3C)C)C(=C(S2)C(=O)C4=CC=C(C=C4)Br)N

DOS

IR

Vibrations