Geometry & MOs

Info

ID:	234985
PubChem CID:	92303828
Reduced:	SN2O2C19H20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	425.200237
ΔH_f, kcal/mol:	-47.3
Dipole, Da:	6.3
IP(EA), eV:	-8.87(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S)-4-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CC=C(C=C1)[C@H]2N(C(=O)CS2)C3=CC=CC=C3

DOS

IR

Vibrations