Geometry & MOs

Info

ID:	196821
PubChem CID:	78883258
Reduced:	SO2N4C18H18 (1)
Stoich.:	AB2C4D18E18 (1)
Weight, g/mol:	382.146347
ΔH_f, kcal/mol:	75.48
Dipole, Da:	9.79
IP(EA), eV:	-9.03(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NN=C(N2C)SCC3=C(C(=CC=C3)[N+](=O)[O-])C

DOS

IR

Vibrations