Geometry & MOs

Info

ID:	440198
PubChem CID:	135230108
Reduced:	N2O10H24C29 (1)
Stoich.:	A2B10C24D29 (1)
Weight, g/mol:	277.134779
ΔH_f, kcal/mol:	-327.91
Dipole, Da:	4.97
IP(EA), eV:	-9.54(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-4-[3-methyl-3-(sulfanylcarbonylamino)butoxy]pentanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)OCCO)C(=O)N(C=O)C2=CC=CC(=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)OCCO

DOS

IR

Vibrations