Geometry & MOs

Info

ID:

421835

PubChem CID:

135116698

Reduced:

SN2O2C21H22 (1)

Stoich.:

AB2C2D21E22 (1)

Weight, g/mol:

702.337712

ΔHf, kcal/mol:

-29.19

Dipole, Da:

3.25

IP(EA), eV:

 -8.5(-0.28)

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-methyl-6-oxopyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)CC3=CC=CS3)C4=C1C5=CC=CC=C5N4

DOS

IR

Vibrations