Geometry & MOs

Info

ID:

416341

PubChem CID:

135089354

Reduced:

N4O4C21H26 (1)

Stoich.:

A4B4C21D26 (1)

Weight, g/mol:

719.346504

ΔHf, kcal/mol:

-95.14

Dipole, Da:

1.56

IP(EA), eV:

 -9.55(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9S,12R,18R)-18-benzyl-3,12-dimethyl-6-(2-methylsulfanylethyl)-16-[(2-phenyl-1,3-oxazol-4-yl)methyl]-9-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14-pentone

Drug info:

PubChemData

Smile

CC(C)N1CC(CC1=O)NC(=O)C2=C(ON=C2N3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations