Geometry & MOs

Info

ID:	44786
PubChem CID:	10505953
Reduced:	N3O7C27H35 (1)
Stoich.:	A3B7C27D35 (1)
Weight, g/mol:	513.283886
ΔH_f, kcal/mol:	-239.42
Dipole, Da:	6.93
IP(EA), eV:	-9.63(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[[1-(cyclohexylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-7-(1,3-dioxoisoindol-2-yl)heptanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@H](CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations