Geometry & MOs

Info

ID:	438631
PubChem CID:	135228375
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	613.383934
ΔH_f, kcal/mol:	-92.53
Dipole, Da:	3.39
IP(EA), eV:	-9.46(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cycloundecyl (2S)-5-(carbamoylamino)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]pentanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(=O)NCCCCC(=O)N

DOS

IR

Vibrations