Geometry & MOs

Info

ID:	193308
PubChem CID:	78374308
Reduced:	N4O4H18C21 (1)
Stoich.:	A4B4C18D21 (1)
Weight, g/mol:	404.000048
ΔH_f, kcal/mol:	-39.52
Dipole, Da:	3.49
IP(EA), eV:	-8.32(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-(3,4-dichlorobenzoyl)-2-sulfanylidene-1,3-diazinane-4,6-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1CC(=O)OC)C=NN3C(=O)C4C=CC=CC4=NC3=O

DOS

IR

Vibrations