Geometry & MOs

Info

ID:

47385

PubChem CID:

10532147

Reduced:

N3O8C35H47 (1)

Stoich.:

A3B8C35D47 (1)

Weight, g/mol:

637.32642

ΔHf, kcal/mol:

-349.48

Dipole, Da:

7.31

IP(EA), eV:

 -9.44(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-(1-adamantylamino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]acetamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)[C@H](CC(=O)OCC2=CC=CC=C2)NC(=O)[C@@H]3CCCCN3C(=O)OC(C)(C)C

DOS

IR

Vibrations