Geometry & MOs

Info

ID:	7169
PubChem CID:	71453
Reduced:	N2O3C12H14 (2)
Stoich.:	A2B3C12D14 (2)
Weight, g/mol:	468.200885
ΔH_f, kcal/mol:	-199.23
Dipole, Da:	5.17
IP(EA), eV:	-9.3(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-[(4-carbamimidoylbenzoyl)amino]-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]oxyacetic acid

Drug info:

PubChemData

Smile

C1CN(CCC1OCC(=O)O)C(=O)C(CC2=CC=C(C=C2)O)NC(=O)C3=CC=C(C=C3)C(=N)N

DOS

IR

Vibrations