Geometry & MOs

Info

ID:	42264
PubChem CID:	8149372
Reduced:	SN3O3C21H29 (1)
Stoich.:	AB3C3D21E29 (1)
Weight, g/mol:	362.207981
ΔH_f, kcal/mol:	-138.07
Dipole, Da:	4.03
IP(EA), eV:	-8.55(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(4R)-5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl]methyl-(3-ethoxypropyl)azanium

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)[C@@H](C)C2=NC3=C(C4=C(S3)C[C@H](CC4)C)C(=O)N2

DOS

IR

Vibrations