Geometry & MOs

Info

ID:	134547
PubChem CID:	51712441
Reduced:	Cl2N2O5H20C22 (1)
Stoich.:	A2B2C5D20E22 (1)
Weight, g/mol:	466.240248
ΔH_f, kcal/mol:	-134.01
Dipole, Da:	4.77
IP(EA), eV:	-9.09(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-benzyl-2-[[5-[(4-ethylphenoxy)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)O[C@H](C)C(=O)NC3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations