Geometry & MOs

Info

ID:	353927
PubChem CID:	127285567
Reduced:	O3N5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	395.199111
ΔH_f, kcal/mol:	-89.32
Dipole, Da:	10.32
IP(EA), eV:	-9.32(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-oxo-2-propan-2-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=O)C=C(N1)C2=CC=C(C=C2)NC(=O)N3CCNC(=O)C3C(C)C

DOS

IR

Vibrations