Geometry & MOs

Info

ID:	137582
PubChem CID:	52229962
Reduced:	ClNO3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	337.136117
ΔH_f, kcal/mol:	-47.01
Dipole, Da:	1.37
IP(EA), eV:	-9.11(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-[(1-cyclopropyltetrazol-5-yl)methyl]-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[C@H](CN(CC2=CC=CO2)CC3=CC=CO3)O)Cl

DOS

IR

Vibrations