Geometry & MOs

Info

ID:	160507
PubChem CID:	57309855
Reduced:	SN4O6C24H26 (1)
Stoich.:	AB4C6D24E26 (1)
Weight, g/mol:	310.027583
ΔH_f, kcal/mol:	-83.04
Dipole, Da:	5.71
IP(EA), eV:	-9.25(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dichloro-3-pyridin-3-yl-6,8-dihydro-5H-indolizine-1-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC(C)CC3=NN=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])[C@@H](C)O

DOS

IR

Vibrations