Geometry & MOs

Info

ID:	36683
PubChem CID:	8011049
Reduced:	INO4H10C14 (1)
Stoich.:	ABC4D10E14 (1)
Weight, g/mol:	369.114713
ΔH_f, kcal/mol:	-21.13
Dipole, Da:	2.45
IP(EA), eV:	-9.7(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)COC(=O)C2=CC(=CC=C2)I)[N+](=O)[O-]

DOS

IR

Vibrations