Geometry & MOs

Info

ID:	188485
PubChem CID:	77723690
Reduced:	O2N4C11H16 (1)
Stoich.:	A2B4C11D16 (1)
Weight, g/mol:	568.300933
ΔH_f, kcal/mol:	-43.05
Dipole, Da:	6.61
IP(EA), eV:	-9.37(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[2-[3-[(1-carbamimidoylpiperidin-4-yl)amino]-1-methoxy-3-oxopropyl]anilino]-3-(4-ethoxyphenyl)-1-oxopropan-2-yl]amino]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(C(=O)O)NN=C(N)N

DOS

IR

Vibrations