Geometry & MOs

Info

ID:	46836
PubChem CID:	10527748
Reduced:	NO4C29H29 (1)
Stoich.:	AB4C29D29 (1)
Weight, g/mol:	455.108582
ΔH_f, kcal/mol:	-89.97
Dipole, Da:	4.61
IP(EA), eV:	-8.86(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,5-dimethyl-1,3-oxazol-2-yl)-4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CCC(=C(C1)C(=O)C2=CC=CC=C2)N[C@@H](CC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations