Geometry & MOs

Info

ID:	191476
PubChem CID:	78150156
Reduced:	N3O3C29H41 (1)
Stoich.:	A3B3C29D41 (1)
Weight, g/mol:	467.151492
ΔH_f, kcal/mol:	-152.85
Dipole, Da:	11.52
IP(EA), eV:	-8.92(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-phenoxyacetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N2)CC3CC(C(C=C3C)CNC(=O)CC4(CCCC4)CC(=O)O)C(C)C

DOS

IR

Vibrations