Geometry & MOs

Info

ID:	64576
PubChem CID:	29203038
Reduced:	ON2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	476.168225
ΔH_f, kcal/mol:	-22.09
Dipole, Da:	4.17
IP(EA), eV:	-9.05(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2=NN(C=C2C(=O)NCCCN3CCCC3=O)C4=CC=CC=C4

DOS

IR

Vibrations