Geometry & MOs

Info

ID:	52799
PubChem CID:	14708979
Reduced:	BrNSO3H18C22 (1)
Stoich.:	ABCD3E18F22 (1)
Weight, g/mol:	380.083078
ΔH_f, kcal/mol:	-50.75
Dipole, Da:	8.57
IP(EA), eV:	-8.55(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-methyl-2-(4-nitrophenyl)thieno[2,3-b]indolizine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C=C(C=CN2C3=C1SC(=C3C)C(=O)C4=CC=C(C=C4)Br)C

DOS

IR

Vibrations