Geometry & MOs

Info

ID:	121999
PubChem CID:	50789237
Reduced:	O3N5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	476.151826
ΔH_f, kcal/mol:	-31.68
Dipole, Da:	4.1
IP(EA), eV:	-8.39(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C=CC(=N2)N3CCN(CC3)C(=O)NC4=C(C=CC(=C4)C)OC

DOS

IR

Vibrations