Geometry & MOs

Info

ID:	219444
PubChem CID:	85148678
Reduced:	NO6C30H39 (1)
Stoich.:	AB6C30D39 (1)
Weight, g/mol:	509.419257
ΔH_f, kcal/mol:	-249.03
Dipole, Da:	2.43
IP(EA), eV:	-9.33(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-3-cyclohexylpropanoyl)amino]-N-(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)-3-methylpentanamide

Drug info:

PubChemData

Smile

CC1CC=CC2C(C(=C(C3C2(C(C=CC(C1O)(C)O)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)C)O

DOS

IR

Vibrations