Geometry & MOs

Info

ID:	291461
PubChem CID:	112379029
Reduced:	SN2O2C16H16 (1)
Stoich.:	AB2C2D16E16 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	-14.93
Dipole, Da:	5.5
IP(EA), eV:	-9.41(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(3-hydroxy-4-phenylbutan-2-yl)acetamide

Drug info:

PubChemData

Smile

CC(C(CC1=CC=CC=C1)O)NC(=O)C2=C(C=CS2)C#N

DOS

IR

Vibrations