Geometry & MOs

Info

ID:

318262

PubChem CID:

126650161

Reduced:

S2N3O3F4H19C25 (1)

Stoich.:

A2B3C3D4E19F25 (1)

Weight, g/mol:

504.119144

ΔHf, kcal/mol:

-222.02

Dipole, Da:

8.12

IP(EA), eV:

 -9.35(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-4-[2-(1,3-dihydrotriazol-2-yl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=C(C=CC(=C2)C(F)(F)F)[C@@H]3CCOC4=C3C=CC(=C4)S(=O)(=O)NC5=NC(=CC=C5)F

DOS

IR

Vibrations