Geometry & MOs

Info

ID:	322149
PubChem CID:	126668908
Reduced:	FO2S2N3C25H28 (1)
Stoich.:	AB2C2D3E25F28 (1)
Weight, g/mol:	503.129061
ΔH_f, kcal/mol:	-48.58
Dipole, Da:	6.93
IP(EA), eV:	-8.56(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4R)-7-[(6-fluoropyridin-2-yl)amino]sulfanyl-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=C(C=C1)C2CCOC3=C2C=CC(=C3)SNC4=NC=CC=N4)CCS(=O)C)F

DOS

IR

Vibrations