Geometry & MOs

Info

ID:

416096

PubChem CID:

135089104

Reduced:

N5O7C33H41 (1)

Stoich.:

A5B7C33D41 (1)

Weight, g/mol:

718.351255

ΔHf, kcal/mol:

-249.08

Dipole, Da:

9.66

IP(EA), eV:

 -9.16(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,5S,8S)-14-(2-benzyl-1,3-thiazole-4-carbonyl)-5-[(4-methoxyphenyl)methyl]-7,8-dimethyl-2-(2-methylpropyl)-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

Smile

CC(C)C[C@H]1C(=O)N(CCNC(=O)COC2=CC=C(C[C@@H](C(=O)NCCCC(=O)N1)NC(=O)C3=CC4=CC=CC=C4O3)C=C2)C

DOS

IR

Vibrations