Geometry & MOs

Info

ID:	80951
PubChem CID:	49854059
Reduced:	NSF2O4C19H21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	521.119147
ΔH_f, kcal/mol:	-217.4
Dipole, Da:	4.17
IP(EA), eV:	-9.17(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(2-methyl-1,3-thiazole-5-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)N[C@H]1COC[C@H]1OC2=CC=C(C=C2)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations