Geometry & MOs

Info

ID:	327830
PubChem CID:	126691128
Reduced:	N2O2C23H28 (1)
Stoich.:	A2B2C23D28 (1)
Weight, g/mol:	502.269239
ΔH_f, kcal/mol:	-67.92
Dipole, Da:	3.08
IP(EA), eV:	-8.83(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-amino-3-(4-phenoxyphenyl)-2-[N'-[1-[(E)-4-pyrrolidin-1-ylbut-2-enoyl]pyrrolidin-3-yl]carbamimidoyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H]1CCCN(C1)C2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations