Geometry & MOs

Info

ID:	52798
PubChem CID:	14708978
Reduced:	BrNSO3H16C21 (1)
Stoich.:	ABCD3E16F21 (1)
Weight, g/mol:	455.01908
ΔH_f, kcal/mol:	-40.61
Dipole, Da:	4.65
IP(EA), eV:	-8.63(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-bromobenzoyl)-1,6-dimethylthieno[2,3-b]indolizine-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations