Geometry & MOs

Info

ID:	218770
PubChem CID:	85089948
Reduced:	NO5C31H41 (1)
Stoich.:	AB5C31D41 (1)
Weight, g/mol:	507.330836
ΔH_f, kcal/mol:	-192.44
Dipole, Da:	0.68
IP(EA), eV:	-8.54(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)-2-[(4-morpholin-4-yl-4-oxobut-2-enoyl)amino]pent-4-enamide

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)NC2=CC=C(C=C2)C3C(C(C(CO3)O)O)O)C)C

DOS

IR

Vibrations