Geometry & MOs

Info

ID:	131465
PubChem CID:	51209825
Reduced:	SO2N4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	365.152161
ΔH_f, kcal/mol:	-20.17
Dipole, Da:	6.82
IP(EA), eV:	-8.65(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SC(C)C(=O)C2=CC=C(C=C2)NC(=O)C(C)C)C3CC3

DOS

IR

Vibrations