Geometry & MOs

Info

ID:	403202
PubChem CID:	135059149
Reduced:	ClN5O5C20H20 (1)
Stoich.:	AB5C5D20E20 (1)
Weight, g/mol:	381.168008
ΔH_f, kcal/mol:	-68.27
Dipole, Da:	3.75
IP(EA), eV:	-9.95(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(N=C1)C(/C(=N/O)/C2=CC=C(C=C2)Cl)N3C=C(C=N3)C(=O)OCC

DOS

IR

Vibrations