Geometry & MOs

Info

ID:

420055

PubChem CID:

135110934

Reduced:

N5O7C35H41 (1)

Stoich.:

A5B7C35D41 (1)

Weight, g/mol:

672.308304

ΔHf, kcal/mol:

-210.92

Dipole, Da:

7.88

IP(EA), eV:

 -9.19(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(6S,9R,12R,15S)-6-benzyl-4,9-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclooctadec-15-yl]-3-(difluoromethoxy)benzamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N1)C(=O)C3=CC=C(O3)OC4=CC=CC=C4)CC5=CC=CC=C5)C(C)C

DOS

IR

Vibrations