Geometry & MOs

Info

ID:	131462
PubChem CID:	51209658
Reduced:	SO3N5H17C18 (1)
Stoich.:	AB3C5D17E18 (1)
Weight, g/mol:	372.198383
ΔH_f, kcal/mol:	-63.64
Dipole, Da:	5.01
IP(EA), eV:	-9.32(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-1-phenylbutyl)acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)N)SC1=NC2=CC=CC=C2C(=O)N1CC3=CN=CC=C3

DOS

IR

Vibrations