Geometry & MOs

Info

ID:	68255
PubChem CID:	46508059
Reduced:	SN4O4C20H32 (1)
Stoich.:	AB4C4D20E32 (1)
Weight, g/mol:	487.131425
ΔH_f, kcal/mol:	-186.66
Dipole, Da:	5.35
IP(EA), eV:	-9.28(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(C)C(=O)NC(=O)NCC(C)C

DOS

IR

Vibrations