Geometry & MOs

Info

ID:	424503
PubChem CID:	135122935
Reduced:	ClSN3O4H13C15 (1)
Stoich.:	ABC3D4E13F15 (1)
Weight, g/mol:	477.153384
ΔH_f, kcal/mol:	-75.59
Dipole, Da:	5.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.181113
Charge, e:	0

Chem-info

IUPAC name:

2,4-difluoro-N-[7-(oxan-4-ylamino)-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/1\C(=O)N(C2=CC=CC=[N+]21)CC3=CN=C(S3)Cl)/O

DOS

IR

Vibrations