Geometry & MOs

Info

ID:	141056
PubChem CID:	52811102
Reduced:	ClFOSN4H16C21 (1)
Stoich.:	ABCDE4F16G21 (1)
Weight, g/mol:	399.092059
ΔH_f, kcal/mol:	10.59
Dipole, Da:	9.13
IP(EA), eV:	-9.05(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-[5-chloro-2-(1-methyltetrazol-5-yl)sulfanylphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)N4C=CN=C4)Cl

DOS

IR

Vibrations