Geometry & MOs

Info

ID:	180356
PubChem CID:	76620523
Reduced:	N4O9C28H44 (1)
Stoich.:	A4B9C28D44 (1)
Weight, g/mol:	509.288971
ΔH_f, kcal/mol:	-373.28
Dipole, Da:	6.87
IP(EA), eV:	-8.83(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-[3-[[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]phenyl]phenyl]methylamino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCCCNCCC(=O)NCCO)CC2=C(NN=C2OC3C(C(C(C(O3)CO)O)O)O)C(C)C

DOS

IR

Vibrations