Geometry & MOs

Info

ID:	188863
PubChem CID:	77775821
Reduced:	NO2C7H11 (3)
Stoich.:	AB2C7D11 (3)
Weight, g/mol:	519.276693
ΔH_f, kcal/mol:	-279.24
Dipole, Da:	2.1
IP(EA), eV:	-9.5(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[3-[3-[(2-butyl-4-methoxyphenyl)sulfonylamino]-2-hydroxyphenyl]-2-methylpropyl]-3-methylpentanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCN(C(CCCCN)C(=O)O)C(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations