Geometry & MOs

Info

ID:	327799
PubChem CID:	126691081
Reduced:	BrO3N5C24H26 (1)
Stoich.:	AB3C5D24E26 (1)
Weight, g/mol:	463.221954
ΔH_f, kcal/mol:	-34.76
Dipole, Da:	4.32
IP(EA), eV:	-9.26(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations