Geometry & MOs

Info

ID:

415735

PubChem CID:

135088735

Reduced:

N3O3C20H21 (1)

Stoich.:

A3B3C20D21 (1)

Weight, g/mol:

728.299219

ΔHf, kcal/mol:

-67.81

Dipole, Da:

3.3

IP(EA), eV:

 -8.61(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4S,7R,10S,13R,16S)-4-benzyl-10-[(1R)-1-hydroxyethyl]-13-methyl-6,9,12,15-tetraoxo-7-propan-2-yl-2-oxa-5,8,11,14-tetrazabicyclo[16.2.2]docosa-1(20),18,21-trien-16-yl]-1,3-benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)NCCOC2=CC=CC3=C2N=CC=C3)C)C(=O)C

DOS

IR

Vibrations