Geometry & MOs

Info

ID:	175610
PubChem CID:	75927811
Reduced:	SO4N5C23H29 (1)
Stoich.:	AB4C5D23E29 (1)
Weight, g/mol:	467.208803
ΔH_f, kcal/mol:	-92.59
Dipole, Da:	9.63
IP(EA), eV:	-8.89(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-benzyl-5-[(2-chloropyridin-4-yl)methyl-[2-(cyclohexen-1-yl)ethyl]amino]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1CC2C(CC1S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4OC5=CN=CC=C5)NC(=O)N2

DOS

IR

Vibrations