Geometry & MOs

Info

ID:

417087

PubChem CID:

135091295

Reduced:

O2N4C21H26 (1)

Stoich.:

A2B4C21D26 (1)

Weight, g/mol:

739.344195

ΔHf, kcal/mol:

-15.76

Dipole, Da:

4.13

IP(EA), eV:

 -9.26(-0.57)

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]-4-(tetrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CCC(=O)N2CCCN(CC2)C(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations