Geometry & MOs

Info

ID:	322145
PubChem CID:	126668876
Reduced:	NO2F3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	515.123895
ΔH_f, kcal/mol:	-225.23
Dipole, Da:	4.57
IP(EA), eV:	-9.58(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(F)(F)F)N2CCOC2=O

DOS

IR

Vibrations