Geometry & MOs

Info

ID:	173536
PubChem CID:	75649307
Reduced:	SN4C20H21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	410.313115
ΔH_f, kcal/mol:	135.21
Dipole, Da:	12.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.032197
Charge, e:	1

Chem-info

IUPAC name:

[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxo-1,3-diazinan-5-yl]-butylamino]-2-oxoethyl]-cyclohexyl-methylazanium

Drug info:

PubChemData

Smile

CC(C)[NH+]=C1NNC(=C2C=NC3=CC=CC=C32)C(S1)C4=CC=CC=C4

DOS

IR

Vibrations