Geometry & MOs

Info

ID:	395277
PubChem CID:	135025060
Reduced:	NO4C22H35 (1)
Stoich.:	AB4C22D35 (1)
Weight, g/mol:	504.16108
ΔH_f, kcal/mol:	-197.72
Dipole, Da:	4.43
IP(EA), eV:	-9.19(0.74)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1Z)-4-[3-iodopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-[(4R,6R)-4-methyl-2-oxo-6-prop-2-enylcyclohexylidene]butan-1-olate

Drug info:

PubChemData

Smile

CC1C[C@H](C2=C(C1)OCCCN(CCCC2=O)C(=O)OC(C)(C)C)CC=C

DOS

IR

Vibrations