Geometry & MOs

Info

ID:	297076
PubChem CID:	117607831
Reduced:	IO2C4H5 (1)
Stoich.:	AB2C4D5 (1)
Weight, g/mol:	595.289365
ΔH_f, kcal/mol:	-45.82
Dipole, Da:	2.17
IP(EA), eV:	-10.15(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-N-[1-[[1-[[3-(4-hydroxyphenyl)-1-(2-methyloxiran-2-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1C(CO1)C(=O)I

DOS

IR

Vibrations