Geometry & MOs

Info

ID:	243428
PubChem CID:	99222782
Reduced:	FSN2O2C19H21 (1)
Stoich.:	ABC2D2E19F21 (1)
Weight, g/mol:	401.188546
ΔH_f, kcal/mol:	-105.42
Dipole, Da:	4.07
IP(EA), eV:	-9.54(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-cyclopentyl-2-[[2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1CCCC1)NC(=O)C2=CC=C(S2)C3=CC=CC=C3F

DOS

IR

Vibrations