Geometry & MOs

Info

ID:	49431
PubChem CID:	11533013
Reduced:	N3O4C28H33 (1)
Stoich.:	A3B4C28D33 (1)
Weight, g/mol:	475.139962
ΔH_f, kcal/mol:	-99.78
Dipole, Da:	6.96
IP(EA), eV:	-8.43(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-3-fluoro-4-thiophen-2-ylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=CC4=C(C3=O)C=C(C=C4)OCCN(C)CC5CCCO5

DOS

IR

Vibrations