Geometry & MOs

Info

ID:	131509
PubChem CID:	51215990
Reduced:	SN3O3H15C18 (1)
Stoich.:	AB3C3D15E18 (1)
Weight, g/mol:	350.214033
ΔH_f, kcal/mol:	2.8
Dipole, Da:	2.7
IP(EA), eV:	-9.17(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(6-methylheptan-2-yl)acetamide

Drug info:

PubChemData

Smile

C#CCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CO3

DOS

IR

Vibrations