Geometry & MOs

Info

ID:	131994
PubChem CID:	51288373
Reduced:	SO2N3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	382.146347
ΔH_f, kcal/mol:	-18.53
Dipole, Da:	3.25
IP(EA), eV:	-8.75(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide

Drug info:

PubChemData

Smile

CC1CCC2=CC=CC=C2N1C(=O)CN3C=NC4=C(C3=O)SC=C4

DOS

IR

Vibrations