Geometry & MOs

Info

ID:	422987
PubChem CID:	135118734
Reduced:	N2O3C21H30 (1)
Stoich.:	A2B3C21D30 (1)
Weight, g/mol:	594.235746
ΔH_f, kcal/mol:	-121.06
Dipole, Da:	6.61
IP(EA), eV:	-8.57(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(17S)-17-benzyl-22-chloro-11-[(2R)-oxolane-2-carbonyl]-2-oxa-6,7,8,11,15,18-hexazatricyclo[18.2.2.16,9]pentacosa-1(22),7,9(25),20,23-pentaene-16,19-dione

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)N2CCC3(CC2)C4=C(CCO3)C=CC=C4OC

DOS

IR

Vibrations