Geometry & MOs

Info

ID:	214679
PubChem CID:	85083387
Reduced:	NO3C17H20 (2)
Stoich.:	AB3C17D20 (2)
Weight, g/mol:	572.3017
ΔH_f, kcal/mol:	-213.03
Dipole, Da:	5.56
IP(EA), eV:	-8.58(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 7-(4-chlorophenoxy)-3-[[3,3-dimethyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]carbamoyl]heptanoate

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC1(C(CC2=C(C=C3C(=C2O1)CN(C3=O)C(CC4=CNC5=CC=CC=C54)C(=O)O)O)O)C)C)C

DOS

IR

Vibrations