Geometry & MOs

Info

ID:

419920

PubChem CID:

135109762

Reduced:

O5N8C31H48 (1)

Stoich.:

A5B8C31D48 (1)

Weight, g/mol:

678.283569

ΔHf, kcal/mol:

-174.04

Dipole, Da:

12.77

IP(EA), eV:

 -8.29(-0.44)

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-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=NC=N1)CN2C[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2)CC(C)C)CC3=CC=C(C=C3)OC)C)C(C)C

DOS

IR

Vibrations