Geometry & MOs

Info

ID:	322080
PubChem CID:	126668527
Reduced:	SN3O3F4H23C28 (1)
Stoich.:	AB3C3D4E23F28 (1)
Weight, g/mol:	513.114554
ΔH_f, kcal/mol:	-226.75
Dipole, Da:	7.79
IP(EA), eV:	-9.42(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[2-(3,3-difluoropropyl)-4-(trifluoromethyl)phenyl]-N-pyridazin-3-yl-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C2=C(C=CC(=C2)C(F)(F)F)[C@@]3(CCOC4=C3C=CC(=C4)S(=O)(=O)NC5=NC(=CC=C5)F)C

DOS

IR

Vibrations