Geometry & MOs

Info

ID:	133154
PubChem CID:	51485352
Reduced:	NSO7C19H21 (1)
Stoich.:	ABC7D19E21 (1)
Weight, g/mol:	488.125337
ΔH_f, kcal/mol:	-262.46
Dipole, Da:	4.61
IP(EA), eV:	-9.6(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@@H](C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)C

DOS

IR

Vibrations