Geometry & MOs

Info

ID:

415568

PubChem CID:

135088564

Reduced:

N6O7C42H52 (1)

Stoich.:

A6B7C42D52 (1)

Weight, g/mol:

370.225643

ΔHf, kcal/mol:

-273.82

Dipole, Da:

3.4

IP(EA), eV:

 -9.21(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-hydroxy-1-adamantyl)-1-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)C3=CC=CC=C3C4=CC=CC(=C4)C)CC5=CC=CC=C5)[C@@H](C)O

DOS

IR

Vibrations