Geometry & MOs

Info

ID:	133162
PubChem CID:	51486057
Reduced:	ClSN4O5H19C21 (1)
Stoich.:	ABC4D5E19F21 (1)
Weight, g/mol:	459.101955
ΔH_f, kcal/mol:	-111.95
Dipole, Da:	5.85
IP(EA), eV:	-9.28(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)Cl)CSC3=NN=C(O3)C4=C(OC=C4)C

DOS

IR

Vibrations