Geometry & MOs

Info

ID:	322082
PubChem CID:	126668530
Reduced:	SN3F4O5H21C24 (1)
Stoich.:	AB3C4D5E21F24 (1)
Weight, g/mol:	450.102512
ΔH_f, kcal/mol:	-296.12
Dipole, Da:	6.71
IP(EA), eV:	-9.39(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-N-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]sulfanyl]pyridin-2-amine

Drug info:

PubChemData

Smile

C[C@]1(CCOC2=C1C=CC(=C2)S(=O)(=O)NC3=NC=C(C=N3)F)C4=C(C=C(C=C4)C(F)(F)F)OC5COC5

DOS

IR

Vibrations