Geometry & MOs

Info

ID:	15691
PubChem CID:	447397
Reduced:	ClO2N6C27H33 (1)
Stoich.:	AB2C6D27E33 (1)
Weight, g/mol:	508.235352
ΔH_f, kcal/mol:	4.08
Dipole, Da:	2.04
IP(EA), eV:	-8.98(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(20S)-20-benzyl-25-chloro-1,4,14,18,21,23-hexazatricyclo[20.3.1.06,11]hexacosa-6,8,10,21,23-pentaene-3,26-dione

Drug info:

PubChemData

Smile

C1CNCCC2=CC=CC=C2CNC(=O)CN3C(C=NC(=N[C@H](CNC1)CC4=CC=CC=C4)C3=O)Cl

DOS

IR

Vibrations