Geometry & MOs

Info

ID:	46866
PubChem CID:	10527995
Reduced:	O3N5H19C27 (1)
Stoich.:	A3B5C19D27 (1)
Weight, g/mol:	461.206304
ΔH_f, kcal/mol:	148.66
Dipole, Da:	2.67
IP(EA), eV:	-9.06(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(5-carbamimidoyl-1H-indole-2-carbonyl)piperidine-4-carbonyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=N[N+](=C(N2/N=C(/C3=CC=CC=C3)\[O-])C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations