Geometry & MOs

Info

ID:	395899
PubChem CID:	135026857
Reduced:	FNSiO4C38H58 (1)
Stoich.:	ABCD4E38F58 (1)
Weight, g/mol:	284.077262
ΔH_f, kcal/mol:	-286.32
Dipole, Da:	2.51
IP(EA), eV:	-9.01(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aS)-3-(trifluoromethyl)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC/C=C/C(C(=O)N[C@@H](CO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)C(=O)OC)F

DOS

IR

Vibrations