Geometry & MOs

Info

ID:	75406
PubChem CID:	48423436
Reduced:	BrN2O4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	402.172562
ΔH_f, kcal/mol:	-114.28
Dipole, Da:	1.61
IP(EA), eV:	-9.38(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CN(CC1=CC=C(O1)Br)C(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations