Geometry & MOs

Info

ID:	68441
PubChem CID:	46508411
Reduced:	SN4O6C16H18 (1)
Stoich.:	AB4C6D16E18 (1)
Weight, g/mol:	415.167811
ΔH_f, kcal/mol:	-115.97
Dipole, Da:	4.74
IP(EA), eV:	-9.74(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-2-[[4-(furan-2-ylmethyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C(=O)C3=CC=CO3

DOS

IR

Vibrations