Geometry & MOs

Info

ID:	192439
PubChem CID:	78269005
Reduced:	SO2N3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	468.137988
ΔH_f, kcal/mol:	-49.36
Dipole, Da:	6.24
IP(EA), eV:	-9.04(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-[2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dimethyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1CNC(NC1=O)SCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations