Geometry & MOs

Info

ID:	49977
PubChem CID:	11538571
Reduced:	SN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	399.219829
ΔH_f, kcal/mol:	-15.25
Dipole, Da:	3.16
IP(EA), eV:	-8.83(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R)-2-(benzhydrylideneamino)-3-(2-methylphenyl)propanoate

Drug info:

PubChemData

Smile

CN1C(CC(C1=O)CN2CCCCC2)C3=CC=C(S3)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations