Geometry & MOs

Info

ID:	308229
PubChem CID:	125323735
Reduced:	O2N3C9H11 (2)
Stoich.:	A2B3C9D11 (2)
Weight, g/mol:	516.04848
ΔH_f, kcal/mol:	-33.07
Dipole, Da:	5.8
IP(EA), eV:	-9.43(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10R,11R,15R,16S)-16-(4-bromobenzoyl)-13-(4-fluorophenyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione

Drug info:

PubChemData

Smile

CC1=N[C@@H](ON1)CNC(=O)C2CCN(CC2)C(=O)C3=NN=C(C3)C4=CC=CO4

DOS

IR

Vibrations