Geometry & MOs

Info

ID:	64348
PubChem CID:	29199231
Reduced:	SO4N5C22H27 (1)
Stoich.:	AB4C5D22E27 (1)
Weight, g/mol:	363.125277
ΔH_f, kcal/mol:	-23.46
Dipole, Da:	7.81
IP(EA), eV:	-8.56(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC[C@@H](C2=CNC3=CC=CC=C32)N4CCN(CC4)C

DOS

IR

Vibrations