Geometry & MOs

Info

ID:	36622
PubChem CID:	8009989
Reduced:	OSN5C23H23 (1)
Stoich.:	ABC5D23E23 (1)
Weight, g/mol:	327.115381
ΔH_f, kcal/mol:	80.75
Dipole, Da:	3.57
IP(EA), eV:	-8.46(-0.12)
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-naphthalen-2-ylethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C(C2=CC=CC=C2)C3=CC=CC=C3)C)C(=O)CSC4=NNC(=N4)N

DOS

IR

Vibrations