Geometry & MOs

Info

ID:

422954

PubChem CID:

135118674

Reduced:

ClN2O4C16H17 (1)

Stoich.:

AB2C4D16E17 (1)

Weight, g/mol:

754.380246

ΔHf, kcal/mol:

-113.44

Dipole, Da:

4.73

IP(EA), eV:

 -9.66(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(9S,12S,15R)-12-benzyl-24-methoxy-4,10,13,16-tetraoxo-15-propan-2-yl-2-oxa-5,11,14,17-tetrazabicyclo[19.3.1]pentacosa-1(24),21(25),22-trien-9-yl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)NC2=NOC(=C2C(=O)O)C3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations