Geometry & MOs

Info

ID:	322118
PubChem CID:	126668718
Reduced:	N3O3C17H17 (1)
Stoich.:	A3B3C17D17 (1)
Weight, g/mol:	558.134874
ΔH_f, kcal/mol:	-60.59
Dipole, Da:	5.32
IP(EA), eV:	-8.54(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-N-(5-fluoropyrimidin-2-yl)-4-methyl-4-[2-(6-methylpyridin-3-yl)-4-(trifluoromethyl)phenyl]-2,3-dihydrochromene-7-sulfonamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)NC(=O)C2=CN=C3N(C2=O)C=CO3

DOS

IR

Vibrations