Geometry & MOs

Info

ID:	36230
PubChem CID:	7982175
Reduced:	N2O4H18C19 (1)
Stoich.:	A2B4C18D19 (1)
Weight, g/mol:	416.107375
ΔH_f, kcal/mol:	-50.47
Dipole, Da:	1.93
IP(EA), eV:	-9.02(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OCC(=O)OCC2=NC(=NO2)C3=CC=CC=C3)C

DOS

IR

Vibrations