Geometry & MOs

Info

ID:	36620
PubChem CID:	8009948
Reduced:	O2F3N4C19H23 (1)
Stoich.:	A2B3C4D19E23 (1)
Weight, g/mol:	345.021787
ΔH_f, kcal/mol:	-218.9
Dipole, Da:	4.47
IP(EA), eV:	-9.03(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-(3,4-dichlorophenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(NC(=C1[C@@H](C)O)C)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations