Geometry & MOs

Info

ID:	186539
PubChem CID:	77443684
Reduced:	ClN5O5C35H50 (1)
Stoich.:	AB5C5D35E50 (1)
Weight, g/mol:	232.094688
ΔH_f, kcal/mol:	-186.73
Dipole, Da:	10.34
IP(EA), eV:	-9.36(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-acetyloxy-4,5-dihydroxycyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCCC(C(=O)C(=O)NC1CC1)NC(=O)C2CC3(CC(=NO3)C4=CC(=CC=C4)Cl)CN2CC(C(C)(C)C)NC(=O)CC5CCCC5

DOS

IR

Vibrations