Geometry & MOs

Info

ID:	169256
PubChem CID:	75080584
Reduced:	N2O3C21H30 (1)
Stoich.:	A2B3C21D30 (1)
Weight, g/mol:	492.186966
ΔH_f, kcal/mol:	-81.67
Dipole, Da:	2.45
IP(EA), eV:	-8.27(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[5-acetamido-4-[4-[(methoxyamino)methylidene]imidazol-2-yl]imidazol-1-yl]acetyl]amino]-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CCCC(C#N)N1CCC2=CC(=C(C=C2C1CC=C(C)CO)OC)OC

DOS

IR

Vibrations