Geometry & MOs

Info

ID:

322685

PubChem CID:

126670810

Reduced:

Cl2O3N6C28H30 (1)

Stoich.:

A2B3C6D28E30 (1)

Weight, g/mol:

438.237939

ΔHf, kcal/mol:

-28.36

Dipole, Da:

4.52

IP(EA), eV:

 -9.11(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[3-carbamoyl-5-[(E)-1-[[(methylideneamino)-pyrrolidin-1-ylmethylidene]amino]prop-1-en-2-yl]indazol-1-yl]acetate

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4[C@@H](C[C@@]5(C4C5)C)C(=O)N[C@H](C)[C@H]6CC6(Cl)Cl

DOS

IR

Vibrations