Geometry & MOs

Info

ID:	237213
PubChem CID:	92717915
Reduced:	SN3O7C23H27 (1)
Stoich.:	AB3C7D23E27 (1)
Weight, g/mol:	489.156971
ΔH_f, kcal/mol:	-198.7
Dipole, Da:	8.4
IP(EA), eV:	-9.57(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-[(2-methyl-5-nitrophenyl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C(=O)O[C@H](C)C(=O)NC3CCCCC3

DOS

IR

Vibrations