Geometry & MOs

Info

ID:	220654
PubChem CID:	85201035
Reduced:	O3C32H54 (1)
Stoich.:	A3B32C54 (1)
Weight, g/mol:	486.188127
ΔH_f, kcal/mol:	-193.66
Dipole, Da:	4.1
IP(EA), eV:	-9.78(1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-3,5-dihydroxyphenyl)-2-[[2-(3,7-diaminoheptanoylamino)-3-hydroxy-3-methylbutanoyl]amino]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(C4C3(CC5C(C4)O5)C)OC6CCCCO6)C

DOS

IR

Vibrations