Geometry & MOs

Info

ID:	80419
PubChem CID:	49834370
Reduced:	SN2F4O4H22C25 (1)
Stoich.:	AB2C4D4E22F25 (1)
Weight, g/mol:	343.179696
ΔH_f, kcal/mol:	-305.66
Dipole, Da:	5.68
IP(EA), eV:	-9.59(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-methyl-3-naphthalen-2-yl-3-(5-phenyltetrazol-2-yl)propan-1-amine

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC(=CC=C3)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations