Geometry & MOs

Info

ID:	187799
PubChem CID:	77625831
Reduced:	NO3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	480.274798
ΔH_f, kcal/mol:	-98.77
Dipole, Da:	5.03
IP(EA), eV:	-9.47(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[[1-[(2-fluorophenyl)carbamoyl]-3-hydroxyazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(C2=CC=CC(=C2)C3=CC=CC=C3)O)C(=O)O

DOS

IR

Vibrations