Geometry & MOs

Info

ID:	21684
PubChem CID:	589528
Reduced:	SO2N4H16C17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	340.099397
ΔH_f, kcal/mol:	19.64
Dipole, Da:	7.21
IP(EA), eV:	-9.23(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-anilino-2-methylsulfanyl-3-phenyl-1H-1,3,5-triazepine-6,7-dione

Drug info:

PubChemData

Smile

CSC1(NC(=O)C(=O)N=CN1C2=CC=CC=C2)NC3=CC=CC=C3

DOS

IR

Vibrations