Geometry & MOs

Info

ID:	192815
PubChem CID:	78315578
Reduced:	ON2S2H18C21 (1)
Stoich.:	AB2C2D18E21 (1)
Weight, g/mol:	490.155388
ΔH_f, kcal/mol:	52.62
Dipole, Da:	2.75
IP(EA), eV:	-8.84(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-[2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3-methyl-1-(2-methylpropyl)-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3C(=NC(=NC3=O)SCC4=CC=CC5=CC=CC=C54)S2

DOS

IR

Vibrations