Geometry & MOs

Info

ID:	34053
PubChem CID:	7889626
Reduced:	N2O4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	375.143035
ΔH_f, kcal/mol:	-170.21
Dipole, Da:	4.56
IP(EA), eV:	-9.48(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H](N1C(=O)[C@@H](C)OC(=O)CNC(=O)C2=CC=CC=C2)C

DOS

IR

Vibrations