Geometry & MOs

Info

ID:	403199
PubChem CID:	135059144
Reduced:	ClNO4H14C16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	375.121058
ΔH_f, kcal/mol:	-122.3
Dipole, Da:	4.96
IP(EA), eV:	-9.26(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2R)-3-phenyl-2-thiophen-2-yl-1,3,3a,4,5,6-hexahydroisophosphindol-1-yl]pyridine

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C=C(C=C1)OC)OC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations