Geometry & MOs

Info

ID:	159617
PubChem CID:	57288540
Reduced:	N3O5H31C34 (1)
Stoich.:	A3B5C31D34 (1)
Weight, g/mol:	454.166139
ΔH_f, kcal/mol:	-73.11
Dipole, Da:	2.74
IP(EA), eV:	-8.8(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(2-methylpropyl) 3-(cyclohexen-1-ylsulfonyl)-2,5-dihydroxybenzene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=C(C=C3)C[C@@H](C(=O)OC)NC4=CC=CC=C4C(=O)C5=CC=NC=C5

DOS

IR

Vibrations