Geometry & MOs

Info

ID:	188815
PubChem CID:	77770317
Reduced:	N4O7C31H42 (1)
Stoich.:	A4B7C31D42 (1)
Weight, g/mol:	529.282172
ΔH_f, kcal/mol:	-285.85
Dipole, Da:	6.74
IP(EA), eV:	-9.32(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4-butoxyphenyl)sulfonyl-methylamino]methyl]-5-methyl-2-(piperidine-1-carbonyl)hexanoic acid;hydroxylamine

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N(CC(=O)CN(CC1=CC=CC=C1)C(=O)CC(C)CCNC(=O)O)C(=O)OCC2=CC=CC=C2)N

DOS

IR

Vibrations