Geometry & MOs

Info

ID:	414684
PubChem CID:	135087643
Reduced:	NOSC16H19 (1)
Stoich.:	ABCD16E19 (1)
Weight, g/mol:	623.262295
ΔH_f, kcal/mol:	5.32
Dipole, Da:	2.47
IP(EA), eV:	-9.06(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(17S)-17-benzyl-22-chloro-11-[(3S)-4-methylmorpholine-3-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)C1=CC(=CS1)CN(C)CCC2=CC=CC=C2

DOS

IR

Vibrations