Geometry & MOs

Info

ID:	221240
PubChem CID:	85261631
Reduced:	N5O6C29H33 (1)
Stoich.:	A5B6C29D33 (1)
Weight, g/mol:	547.362136
ΔH_f, kcal/mol:	-154.91
Dipole, Da:	5.33
IP(EA), eV:	-9.4(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-benzyl-5-methyl-3-[3-[[4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]butanoylamino]hexanoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NNC(=O)NNC(=O)C1=CC=CC=C1OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations