Geometry & MOs

Info

ID:	164840
PubChem CID:	74460953
Reduced:	N4O6C25H31 (1)
Stoich.:	A4B6C25D31 (1)
Weight, g/mol:	483.258065
ΔH_f, kcal/mol:	-244.36
Dipole, Da:	9.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760497
Charge, e:	-2

Chem-info

IUPAC name:

2-[[4-[[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]methyl]cyclohexanecarbonyl]amino]pentanedioate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1C(=O)[O-])NC(=O)C(CC2=CC=CC=C2)N3C(=O)C4CCCCC4NC3=O

DOS

IR

Vibrations