Geometry & MOs

Info

ID:	421027
PubChem CID:	135115253
Reduced:	S2O5N7C33H43 (1)
Stoich.:	A2B5C7D33E43 (1)
Weight, g/mol:	381.115855
ΔH_f, kcal/mol:	-139.62
Dipole, Da:	5.5
IP(EA), eV:	-8.84(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-8-fluoroquinoline-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)CC4=CSC=C4)C)C)C(C)C

DOS

IR

Vibrations