Geometry & MOs

Info

ID:	223590
PubChem CID:	85335283
Reduced:	NSO6C23H29 (1)
Stoich.:	ABC6D23E29 (1)
Weight, g/mol:	447.182792
ΔH_f, kcal/mol:	-204.09
Dipole, Da:	2.55
IP(EA), eV:	-8.45(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(aminomethyl)cyclohexyl]-N-hydroxy-2-[(4-phenoxyphenyl)sulfonylamino]propanamide

Drug info:

PubChemData

Smile

COC1=C2C3=C(CC4C5(C3(CCN4CCCSCCC(=O)O)C(O2)C(=O)CC5)O)C=C1

DOS

IR

Vibrations