Geometry & MOs

Info

ID:	327792
PubChem CID:	126691073
Reduced:	N5O5C26H29 (1)
Stoich.:	A5B5C26D29 (1)
Weight, g/mol:	449.206304
ΔH_f, kcal/mol:	-125.74
Dipole, Da:	3.88
IP(EA), eV:	-9.19(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OC/C=C/C(=O)N1CCC(C1)N=C(/C(=C(/C2=CC=C(C=C2)OC3=CC=CC=C3)\N)/C(=O)N)N

DOS

IR

Vibrations