Geometry & MOs

Info

ID:	44930
PubChem CID:	10506628
Reduced:	SN2O2C13H20 (1)
Stoich.:	AB2C2D13E20 (1)
Weight, g/mol:	540.198692
ΔH_f, kcal/mol:	-82.22
Dipole, Da:	5.69
IP(EA), eV:	-9.23(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-6-[(2-chlorophenyl)methoxycarbonylamino]-1-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]hexan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CCCC[C@H]2N

DOS

IR

Vibrations