Geometry & MOs

Info

ID:	191245
PubChem CID:	78123185
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	-46.99
Dipole, Da:	8.21
IP(EA), eV:	-8.98(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethoxyphenyl)methylsulfanyl]-4-(2-methylphenyl)-6-oxo-1,3-diazinane-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2C(C(=O)NC(N2)SCC3=CC(=CC(=C3)OC)OC)C#N

DOS

IR

Vibrations