Geometry & MOs

Info

ID:	437364
PubChem CID:	135226173
Reduced:	ON2C10H12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	697.357024
ΔH_f, kcal/mol:	47.92
Dipole, Da:	2.84
IP(EA), eV:	-9.46(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9R,11S)-2-acetyl-17-chloro-9,16-difluoro-3,4,7,13,31-pentazapentacyclo[34.3.1.115,19.04,39.07,11]hentetraconta-1(39),2,15,17,19(41),36(40),37-heptaene-6,12-dione

Drug info:

PubChemData

Smile

CC(C)C(=O)CC1=CN=C=CC=N1

DOS

IR

Vibrations