Geometry & MOs

Info

ID:	56853
PubChem CID:	22394401
Reduced:	NI2O3H7C10 (1)
Stoich.:	AB2C3D7E10 (1)
Weight, g/mol:	608.08186
ΔH_f, kcal/mol:	-50.26
Dipole, Da:	6.46
IP(EA), eV:	-8.89(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[5,7-dichloro-1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indol-2-yl]-3-oxo-2-(1-propan-2-ylpiperidin-4-yl)propanoic acid

Drug info:

PubChemData

Smile

COC1=C2C(=C(C=C1)I)NC(=C2I)C(=O)O

DOS

IR

Vibrations