Geometry & MOs

Info

ID:	52827
PubChem CID:	14709028
Reduced:	BrNSO4H18C22 (1)
Stoich.:	ABCD4E18F22 (1)
Weight, g/mol:	410.093643
ΔH_f, kcal/mol:	-102.47
Dipole, Da:	2.77
IP(EA), eV:	-8.44(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7,9-dimethyl-2-(4-nitrophenyl)-1-oxothieno[3,2-a]indolizine-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations