Geometry & MOs

Info

ID:	238023
PubChem CID:	92728855
Reduced:	O2N5C30H37 (1)
Stoich.:	A2B5C30D37 (1)
Weight, g/mol:	463.204196
ΔH_f, kcal/mol:	-47.37
Dipole, Da:	3.83
IP(EA), eV:	-7.83(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-[(2R)-2-phenylbutanoyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3CCN(CC3)C4=NC5=C(C=C(C=C5)NC(=O)C)C(=C4)C

DOS

IR

Vibrations