Geometry & MOs

Info

ID:	188779
PubChem CID:	77764614
Reduced:	N3O4C26H33 (1)
Stoich.:	A3B4C26D33 (1)
Weight, g/mol:	434.180149
ΔH_f, kcal/mol:	-140.44
Dipole, Da:	3.36
IP(EA), eV:	-9.25(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-[[4-(2-aminoethyl)benzoyl]amino]acetyl]-4-(carboxymethyl)-3-oxopiperazin-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CC1CC(N(C1=O)CCCC2=CC=CC=C2)C(C(=O)C3=CC=C(C=C3)CN)N

DOS

IR

Vibrations