Geometry & MOs

Info

ID:	322148
PubChem CID:	126668903
Reduced:	SN3O3F4H19C25 (1)
Stoich.:	AB3C3D4E19F25 (1)
Weight, g/mol:	485.160698
ΔH_f, kcal/mol:	-206.97
Dipole, Da:	9.02
IP(EA), eV:	-9.09(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[4-(2-fluoropropan-2-yl)-2-(2-methylsulfinylethyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]sulfanyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=NC(=CO1)C2=C(C=CC(=C2)C(F)(F)F)C3CCOC4=C3C=CC(=C4)S(=O)NC5=NC(=CC=C5)F

DOS

IR

Vibrations