Geometry & MOs

Info

ID:	378696
PubChem CID:	134224790
Reduced:	NOC18H29 (1)
Stoich.:	ABC18D29 (1)
Weight, g/mol:	447.182792
ΔH_f, kcal/mol:	-85.73
Dipole, Da:	3.15
IP(EA), eV:	-8.6(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-4-[2-methyl-1-[(4-phenyldiazenylphenyl)sulfonylamino]propan-2-yl]oxybutanoic acid

Drug info:

PubChemData

Smile

CCC(CC)C1=CC(=CC(=C1)C)NC(=O)C(CC)CC

DOS

IR

Vibrations