Geometry & MOs

Info

ID:	38381
PubChem CID:	8034317
Reduced:	FN2O2H17C18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	377.140927
ΔH_f, kcal/mol:	-47.46
Dipole, Da:	3.2
IP(EA), eV:	-8.63(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (6S)-6-[3-[(2-methoxyacetyl)amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CN1C=CC=C1CN(CC2=CC=CO2)C(=O)C3=CC=CC=C3F

DOS

IR

Vibrations