Geometry & MOs

Info

ID:	214680
PubChem CID:	85083388
Reduced:	ClN2O5C32H45 (1)
Stoich.:	AB2C5D32E45 (1)
Weight, g/mol:	573.260388
ΔH_f, kcal/mol:	-254.76
Dipole, Da:	3.41
IP(EA), eV:	-8.97(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-adamantyl N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[(2-phosphonooxycyclohexyl)amino]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)NCCC1=CC=CC=C1)NC(=O)C(CCCCOC2=CC=C(C=C2)Cl)CC(=O)OC(C)(C)C

DOS

IR

Vibrations