Geometry & MOs

Info

ID:	414986
PubChem CID:	135087966
Reduced:	O2N4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	557.240497
ΔH_f, kcal/mol:	-74.46
Dipole, Da:	4.44
IP(EA), eV:	-9.11(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S)-13-(5-chloropyridine-2-carbonyl)-23-methoxy-2-oxa-5,8,13,17-tetrazatricyclo[19.2.2.13,6]hexacosa-1(23),21,24-triene-7,18-dione

Drug info:

PubChemData

Smile

CC(C)N1C=CC=C1C(=O)NCCN2CCNC2=O

DOS

IR

Vibrations