Geometry & MOs

Info

ID:	42260
PubChem CID:	8149366
Reduced:	SN3O3C21H29 (1)
Stoich.:	AB3C3D21E29 (1)
Weight, g/mol:	361.200156
ΔH_f, kcal/mol:	-139.03
Dipole, Da:	3.86
IP(EA), eV:	-8.6(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-6-[(3-ethoxypropylamino)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

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