Geometry & MOs

Info

ID:	322063
PubChem CID:	126668469
Reduced:	SN2O2C26H30 (1)
Stoich.:	AB2C2D26E30 (1)
Weight, g/mol:	656.00022
ΔH_f, kcal/mol:	-1.56
Dipole, Da:	6.04
IP(EA), eV:	-8.59(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-N-(5-fluoropyrimidin-2-yl)-4-[2-(6-iodopyridin-3-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

C/C=C\C(=C)CSC1=CC(=C(C=C1)C(CCO)C2=C(C=C(C=C2)C)C3=CC=NN3C)O

DOS

IR

Vibrations