Geometry & MOs

Info

ID:	411137
PubChem CID:	135083947
Reduced:	OPC16H27 (1)
Stoich.:	ABC16D27 (1)
Weight, g/mol:	571.275447
ΔH_f, kcal/mol:	-34.48
Dipole, Da:	1.6
IP(EA), eV:	-8.12(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S,9S,12S,13R,14R)-6-butan-2-yl-13,14-dihydroxy-3-(1H-imidazol-5-ylmethyl)-9-[(4-methoxyphenyl)methyl]-1,4,7,10,16-pentazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CCOC#CP(C1CCCCC1)C2CCCCC2

DOS

IR

Vibrations