Geometry & MOs

Info

ID:	163010
PubChem CID:	57581362
Reduced:	NSO5C33H33 (1)
Stoich.:	ABC5D33E33 (1)
Weight, g/mol:	498.161329
ΔH_f, kcal/mol:	-143.0
Dipole, Da:	3.97
IP(EA), eV:	-8.48(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-benzyl-4-phenyl-1,3-thiazol-2-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CC(=O)OCCCC1=C(C=CC(=C1)C(=O)CCC(=O)NC2=CC(=C(S2)CC3=CC=CC=C3)C4=CC=CC=C4)OC

DOS

IR

Vibrations