Geometry & MOs

Info

ID:	61594
PubChem CID:	26710835
Reduced:	N3O5C28H29 (1)
Stoich.:	A3B5C28D29 (1)
Weight, g/mol:	454.059189
ΔH_f, kcal/mol:	-119.12
Dipole, Da:	6.4
IP(EA), eV:	-8.34(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C(=O)NCCC3=CNC4=CC=CC=C43)OC

DOS

IR

Vibrations