Geometry & MOs

Info

ID:	245196
PubChem CID:	99437858
Reduced:	FS2O3N4C14H15 (1)
Stoich.:	AB2C3D4E14F15 (1)
Weight, g/mol:	394.124566
ΔH_f, kcal/mol:	-101.5
Dipole, Da:	2.71
IP(EA), eV:	-8.63(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-methylsulfanyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(propanoylamino)butanamide

Drug info:

PubChemData

Smile

C1CSCCN1S(=O)(=O)C2=CNC(=C2)C(=O)NC3=NC=C(C=C3)F

DOS

IR

Vibrations