Geometry & MOs

Info

ID:	346241
PubChem CID:	127270745
Reduced:	SN2O2C17H22 (1)
Stoich.:	AB2C2D17E22 (1)
Weight, g/mol:	323.177982
ΔH_f, kcal/mol:	-74.31
Dipole, Da:	4.01
IP(EA), eV:	-9.18(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)NC1CC1)SC2CCCC3=CC=CC=C23

DOS

IR

Vibrations