Geometry & MOs

Info

ID:	220666
PubChem CID:	85201803
Reduced:	O7C33H42 (1)
Stoich.:	A7B33C42 (1)
Weight, g/mol:	550.31552
ΔH_f, kcal/mol:	-306.28
Dipole, Da:	3.9
IP(EA), eV:	-9.93(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[(4-cyanobenzoyl)amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methylamino]hexanoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CCCCCC(=O)CCC1C(CC(C1CCCCC(=O)OC)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations