Geometry & MOs

Info

ID:	278649
PubChem CID:	103836799
Reduced:	NSF3O3C10H12 (1)
Stoich.:	ABC3D3E10F12 (1)
Weight, g/mol:	302.05367
ΔH_f, kcal/mol:	-257.17
Dipole, Da:	3.4
IP(EA), eV:	-10.13(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3-difluoro-2-hydroxypropyl)isoquinoline-5-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)S(=O)(=O)NCC(C(F)F)O

DOS

IR

Vibrations