Geometry & MOs

Info

ID:

422000

PubChem CID:

135116989

Reduced:

NO2C20H29 (1)

Stoich.:

AB2C20D29 (1)

Weight, g/mol:

701.353697

ΔHf, kcal/mol:

-120.51

Dipole, Da:

2.97

IP(EA), eV:

 -8.8(0.6)

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]-2,6-dimethylpyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)CC(=O)N2CCC[C@@]3(C2)CCC[C@H]3O)C

DOS

IR

Vibrations