Geometry & MOs

Info

ID:

449550

PubChem CID:

135299503

Reduced:

ClPO7N8C46H50 (1)

Stoich.:

ABC7D8E46F50 (1)

Weight, g/mol:

484.185903

ΔHf, kcal/mol:

-205.77

Dipole, Da:

5.13

IP(EA), eV:

 -9.02(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-4-[amino(nitroso)methylidene]-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]-5H-imidazo[4,5-c]pyridin-2-one

Drug info:

PubChemData

Smile

CC(=O)NCCNP(=O)(OCC1CN(CC(O1)N2C=NC3=C2N=C(N=C3OC(=O)C(C)(C)C)NC(=O)CC4=CC=CC=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)Cl

DOS

IR

Vibrations