Geometry & MOs

Info

ID:	175134
PubChem CID:	75859271
Reduced:	OSN3C21H31 (1)
Stoich.:	ABC3D21E31 (1)
Weight, g/mol:	473.33659
ΔH_f, kcal/mol:	-35.82
Dipole, Da:	4.06
IP(EA), eV:	-8.54(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-butyl-2,4-dioxo-1,3-diazinan-5-yl)-2-[[1-(4-butan-2-ylphenyl)-2-methylpropyl]amino]-N-ethylacetamide

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)C(C(C)C)NCC2CC(=O)N3C=CSC3N2

DOS

IR

Vibrations