Geometry & MOs

Info

ID:	140491
PubChem CID:	52709473
Reduced:	N2S2O3H20C21 (1)
Stoich.:	A2B2C3D20E21 (1)
Weight, g/mol:	442.157581
ΔH_f, kcal/mol:	-25.63
Dipole, Da:	6.62
IP(EA), eV:	-8.94(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-4-[5-[(1R)-1-naphthalen-2-ylethyl]sulfanyltetrazol-1-yl]-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

C[C@H](C1=CC2=CC=CC=C2C=C1)SC3=NC4=C(O3)C=CC(=C4)S(=O)(=O)N(C)C

DOS

IR

Vibrations