Geometry & MOs

Info

ID:	166365
PubChem CID:	74677885
Reduced:	SN3O5C23H30 (1)
Stoich.:	AB3C5D23E30 (1)
Weight, g/mol:	448.207033
ΔH_f, kcal/mol:	-117.33
Dipole, Da:	6.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753722
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-butyl-2,4-dioxo-1,3-diazinan-5-yl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(furan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(=O)N2CC[NH+](CC2)CC3CCCO3)NC(=O)C4=CC=CS4)OC

DOS

IR

Vibrations