Geometry & MOs

Info

ID:	55936
PubChem CID:	17397584
Reduced:	FN2O2C17H19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	357.151098
ΔH_f, kcal/mol:	-113.95
Dipole, Da:	2.54
IP(EA), eV:	-9.27(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-4-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)C)C)C(=O)NCCC2=CC=CC=C2F

DOS

IR

Vibrations