Geometry & MOs

Info

ID:	219256
PubChem CID:	85096731
Reduced:	FSO2N5H22C25 (1)
Stoich.:	ABC2D5E22F25 (1)
Weight, g/mol:	475.247107
ΔH_f, kcal/mol:	49.41
Dipole, Da:	9.55
IP(EA), eV:	-9.02(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[3-[[2-(4-ethoxyphenyl)-5-methylpyrimidin-4-yl]-methylamino]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC2=NC(=NC(=O)C2C=C1CN(CC#C)C3=CC(=C(C=C3)C(=O)NCC4=NC=CS4)F)C

DOS

IR

Vibrations