Geometry & MOs

Info

ID:	189090
PubChem CID:	77816277
Reduced:	SF3N3O4C18H24 (1)
Stoich.:	AB3C3D4E18F24 (1)
Weight, g/mol:	491.242021
ΔH_f, kcal/mol:	-281.33
Dipole, Da:	6.98
IP(EA), eV:	-9.62(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenylmethoxyethyl 3-amino-5-[2-(cyclohexa-1,3-dien-1-ylmethoxy)ethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC1S(=O)(=O)NCC2CC(CN2C(=O)CC(CC3=CC(=C(C=C3F)F)F)N)O

DOS

IR

Vibrations