Geometry & MOs

Info

ID:	420500
PubChem CID:	135113491
Reduced:	ClN4C14H23 (1)
Stoich.:	AB4C14D23 (1)
Weight, g/mol:	507.211784
ΔH_f, kcal/mol:	10.35
Dipole, Da:	2.47
IP(EA), eV:	-8.72(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(25R,26R)-26-hydroxy-6-methoxy-8,16-dioxa-1,11,12,13,24-pentazapentacyclo[23.2.2.13,7.110,13.117,21]dotriaconta-3(32),4,6,10(31),11,17,19,21(30)-octaene-2,23-dione

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)N(C)CCC(C)N2CCCC2)Cl

DOS

IR

Vibrations