Geometry & MOs

Info

ID:	491
PubChem CID:	2841
Reduced:	N5O7C32H45 (1)
Stoich.:	A5B7C32D45 (1)
Weight, g/mol:	611.331899
ΔH_f, kcal/mol:	-250.25
Dipole, Da:	6.26
IP(EA), eV:	-8.99(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[3-butan-2-yl-6-(1-methoxyindol-3-yl)-2,5,8,11-tetraoxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecan-9-yl]hexanoate

Drug info:

PubChemData

Smile

CCC(C)C1C(=O)N2CCCCC2C(=O)NC(C(=O)NC(C(=O)N1)C3=CN(C4=CC=CC=C43)OC)CCCCCC(=O)OC

DOS

IR

Vibrations