Geometry & MOs

Info

ID:	184478
PubChem CID:	77166255
Reduced:	SSiO2N4C23H38 (1)
Stoich.:	ABC2D4E23F38 (1)
Weight, g/mol:	452.144216
ΔH_f, kcal/mol:	-81.7
Dipole, Da:	6.34
IP(EA), eV:	-8.09(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-3-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(C)(C)CSC)NC(=O)C1=CN(C2=NC=C(N=C12)C3CC3)COCC[Si](C)(C)C

DOS

IR

Vibrations