Geometry & MOs

Info

ID:

416862

PubChem CID:

135090612

Reduced:

O2N5C18H23 (1)

Stoich.:

A2B5C18D23 (1)

Weight, g/mol:

568.271942

ΔHf, kcal/mol:

-27.66

Dipole, Da:

6.84

IP(EA), eV:

 -8.93(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5S)-2-[(4-methoxyphenyl)methyl]-4,5-dimethyl-11-(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl)-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=NC=C3)N(C)C

DOS

IR

Vibrations