Geometry & MOs

Info

ID:	341867
PubChem CID:	127264560
Reduced:	N2O2H28C31 (1)
Stoich.:	A2B2C28D31 (1)
Weight, g/mol:	287.184506
ΔH_f, kcal/mol:	36.55
Dipole, Da:	1.86
IP(EA), eV:	-8.48(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(5S)-5-acetamido-6-amino-6-oxohexyl]carbamate

Drug info:

PubChemData

Smile

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations