Geometry & MOs

Info

ID:	421606
PubChem CID:	135116294
Reduced:	ClNOC17H24 (1)
Stoich.:	ABCD17E24 (1)
Weight, g/mol:	536.311104
ΔH_f, kcal/mol:	-63.78
Dipole, Da:	3.16
IP(EA), eV:	-8.48(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,9S,12R)-3-benzyl-7,12-dimethyl-9-propan-2-yl-13-(pyridin-4-ylmethyl)-1,4,7,10,13-pentazacyclohexadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)CN2CCC[C@]3(C2)CCC[C@H]3O

DOS

IR

Vibrations