Geometry & MOs

Info

ID:	170536
PubChem CID:	75248707
Reduced:	O2N3C10H14 (2)
Stoich.:	A2B3C10D14 (2)
Weight, g/mol:	699.209795
ΔH_f, kcal/mol:	-115.1
Dipole, Da:	7.15
IP(EA), eV:	-8.26(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 4,5-bis(furan-2-ylmethylcarbamoyloxy)-3-[[(4-methylphenyl)sulfonyl-prop-2-ynylamino]methyl]cyclohexane-1,2-dicarboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=CC=C(C=C2)CNCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O

DOS

IR

Vibrations