Geometry & MOs

Info

ID:	327791
PubChem CID:	126691072
Reduced:	O4N5C24H27 (1)
Stoich.:	A4B5C24D27 (1)
Weight, g/mol:	491.216869
ΔH_f, kcal/mol:	-76.03
Dipole, Da:	9.23
IP(EA), eV:	-8.88(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-4-[3-[[(E)-1,3-diamino-2-carbamoyl-3-(4-phenoxyphenyl)prop-2-enylidene]amino]pyrrolidin-1-yl]-4-oxobut-2-enyl] acetate

Drug info:

PubChemData

Smile

C1CN(CC1N=C(/C(=C(/C2=CC=C(C=C2)OC3=CC=CC=C3)\N)/C(=O)N)N)C/C=C/C(=O)O

DOS

IR

Vibrations