Geometry & MOs

Info

ID:	234979
PubChem CID:	92303817
Reduced:	ClFSN2O2H18C19 (1)
Stoich.:	ABCD2E2F18G19 (1)
Weight, g/mol:	384.148535
ΔH_f, kcal/mol:	-102.37
Dipole, Da:	5.45
IP(EA), eV:	-8.94(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (6S)-6-(2-fluorophenyl)-3-methyl-2-oxo-4-(phenoxymethyl)-1,6-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)N2[C@@H](SCC2=O)C3=CC(=CC=C3)NC(=O)[C@H](C)Cl

DOS

IR

Vibrations