Geometry & MOs

Info

ID:	135479
PubChem CID:	51878200
Reduced:	O2S2N3H19C21 (1)
Stoich.:	A2B2C3D19E21 (1)
Weight, g/mol:	468.199526
ΔH_f, kcal/mol:	8.32
Dipole, Da:	7.3
IP(EA), eV:	-8.71(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[[5-(4-fluorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C(=O)[C@@H](C)SC3=NC4=C(C=CS4)C(=O)N3CC=C

DOS

IR

Vibrations