Geometry & MOs

Info

ID:	318286
PubChem CID:	126650349
Reduced:	ON6H20C21 (1)
Stoich.:	AB6C20D21 (1)
Weight, g/mol:	504.119144
ΔH_f, kcal/mol:	89.28
Dipole, Da:	0.94
IP(EA), eV:	-9.17(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCNC(=O)C2=CC=CC(=C2)CC3=CC(=NC4=NNN=C34)N

DOS

IR

Vibrations