Geometry & MOs

Info

ID:

414885

PubChem CID:

135087857

Reduced:

N3O4C13H17 (1)

Stoich.:

A3B4C13D17 (1)

Weight, g/mol:

704.353363

ΔHf, kcal/mol:

-111.18

Dipole, Da:

5.23

IP(EA), eV:

 -9.28(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S)-5-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]-13-(furan-3-carbonyl)-23-methoxy-2-oxa-5,8,13,17-tetrazatricyclo[19.2.2.13,6]hexacosa-1(23),21,24-triene-7,18-dione

Drug info:

PubChemData

Smile

CC1=NN(C=C1CN2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O)C

DOS

IR

Vibrations