Geometry & MOs

Info

ID:	163019
PubChem CID:	57581387
Reduced:	N3O4C33H35 (1)
Stoich.:	A3B4C33D35 (1)
Weight, g/mol:	480.187149
ΔH_f, kcal/mol:	-69.12
Dipole, Da:	5.62
IP(EA), eV:	-8.24(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-benzyl-4-phenyl-1,3-thiazol-2-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)CCC(=O)NC2=CC(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)N(C)C)OCC

DOS

IR

Vibrations