Geometry & MOs

Info

ID:	191244
PubChem CID:	78122381
Reduced:	O3N4C28H34 (1)
Stoich.:	A3B4C28D34 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	-56.9
Dipole, Da:	6.96
IP(EA), eV:	-8.06(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1C2=CC(=CC=C2)O)CC(C(C)C)NC(=O)C3=CN=C(C=C3)OC4=CC=CC=C4

DOS

IR

Vibrations