Geometry & MOs

Info

ID:	192943
PubChem CID:	78326417
Reduced:	ClN2O8C29H35 (1)
Stoich.:	AB2C8D29E35 (1)
Weight, g/mol:	252.104482
ΔH_f, kcal/mol:	-236.66
Dipole, Da:	8.31
IP(EA), eV:	-8.88(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-(4-methoxyanilino)-1,3-diazinane-4-thione

Drug info:

PubChemData

Smile

CCOC(=O)CCC(=O)N(CC=C)CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=COC4CCC(CC4C3=O)Cl

DOS

IR

Vibrations