Geometry & MOs

Info

ID:	32538
PubChem CID:	7842724
Reduced:	N3O4C24H25 (1)
Stoich.:	A3B4C24D25 (1)
Weight, g/mol:	401.10204
ΔH_f, kcal/mol:	-93.54
Dipole, Da:	6.15
IP(EA), eV:	-9.78(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methylsulfanylphenyl)methylsulfanyl]-5,6-diphenyl-1,2,4-triazine

Drug info:

PubChemData

Smile

C1CCC(C1)(C#N)NC(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations