Geometry & MOs

Info

ID:	335675
PubChem CID:	127254537
Reduced:	N4O4H18C19 (1)
Stoich.:	A4B4C18D19 (1)
Weight, g/mol:	562.0295
ΔH_f, kcal/mol:	-105.82
Dipole, Da:	7.0
IP(EA), eV:	-9.1(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,11R,12S,16R)-11-(3-bromo-4-methoxybenzoyl)-14-(4-chlorophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)NC(=O)NCCN2C=NC3=CC=CC=C3C2=O

DOS

IR

Vibrations