Geometry & MOs

Info

ID:	302495
PubChem CID:	124361961
Reduced:	FSN2O2C19H21 (1)
Stoich.:	ABC2D2E19F21 (1)
Weight, g/mol:	386.163043
ΔH_f, kcal/mol:	-69.87
Dipole, Da:	3.68
IP(EA), eV:	-8.51(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C2=CC(=C(C=C2CCN1C(=S)NC3=CC=C(C=C3)F)OC)OC

DOS

IR

Vibrations