Geometry & MOs

Info

ID:	193696
PubChem CID:	78426066
Reduced:	N3O4C15H25 (1)
Stoich.:	A3B4C15D25 (1)
Weight, g/mol:	524.964763
ΔH_f, kcal/mol:	-187.72
Dipole, Da:	5.96
IP(EA), eV:	-9.26(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[1-cyano-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxopyrazolo[1,5-a]pyrimidin-6-yl]-2-(2,6-dichloro-3-fluorophenyl)ethenesulfonamide

Drug info:

PubChemData

Smile

CC1CCC2(N1C(=O)C(C)C)CN(C2=O)[C@@H]([C@@H](C)O)C(=O)N

DOS

IR

Vibrations