Geometry & MOs

Info

ID:	228373
PubChem CID:	87564127
Reduced:	ClN3O4C30H30 (1)
Stoich.:	AB3C4D30E30 (1)
Weight, g/mol:	322.189257
ΔH_f, kcal/mol:	-13.93
Dipole, Da:	6.89
IP(EA), eV:	-8.89(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3S)-4-[methoxy(methyl)amino]-4-oxo-3-phenylbutyl]carbamate

Drug info:

PubChemData

Smile

C1CCOC(C1)ONC(=O)C2=CC(=NC(=C2)Cl)C3=CC=C(C=C3)C#CC4=CC=C(C=C4)CN5CCOCC5

DOS

IR

Vibrations