Geometry & MOs

Info

ID:	346270
PubChem CID:	127270774
Reduced:	N2O2C9H10 (2)
Stoich.:	A2B2C9D10 (2)
Weight, g/mol:	397.160617
ΔH_f, kcal/mol:	-149.86
Dipole, Da:	2.78
IP(EA), eV:	-9.02(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-acetylpiperidin-4-yl)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC2=C(CNC2=O)C=C1)N3C(=O)C4(CCCC4)NC3=O

DOS

IR

Vibrations