Geometry & MOs

Info

ID:	231180
PubChem CID:	87572879
Reduced:	NSi2C11H24 (1)
Stoich.:	AB2C11D24 (1)
Weight, g/mol:	557.154446
ΔH_f, kcal/mol:	11.78
Dipole, Da:	2.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759822
Charge, e:	0

Chem-info

IUPAC name:

7-[[8-[2-(2,2-difluoroethoxy)-5-methylsulfonylphenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)N(C/C(=C(/C)\[Si])/C)[Si](C)(C)C

DOS

IR

Vibrations