Geometry & MOs

Info

ID:	317516
PubChem CID:	126640316
Reduced:	N3O4C35H47 (1)
Stoich.:	A3B4C35D47 (1)
Weight, g/mol:	433.155909
ΔH_f, kcal/mol:	-165.11
Dipole, Da:	4.85
IP(EA), eV:	-8.86(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-ethoxy-1,2-benzoxazol-6-yl)oxy]-3,4-dimethyl-2-pentylbenzenesulfonic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C2CCCCC2)N3CNC4(C3=O)CCN(CC4)CCCC(=O)C5=CC=CC=C5)C(=O)OC(C)(C)C

DOS

IR

Vibrations