Geometry & MOs

Info

ID:	353437
PubChem CID:	127284996
Reduced:	SN3O4C16H29 (1)
Stoich.:	AB3C4D16E29 (1)
Weight, g/mol:	353.188546
ΔH_f, kcal/mol:	-184.3
Dipole, Da:	8.59
IP(EA), eV:	-8.8(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2(CCOCC2)CNC(=O)CCN3CCCS3(=O)=O

DOS

IR

Vibrations