Geometry & MOs

Info

ID:	383091
PubChem CID:	134974625
Reduced:	SO2N3H21C23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	264.120903
ΔH_f, kcal/mol:	2.66
Dipole, Da:	12.88
IP(EA), eV:	-8.04(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,3R,6S)-3,6-dihydroxy-6-(hydroxymethyl)-2,2-dimethoxycyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C(=S)NC(=C2)NC(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations