Geometry & MOs

Info

ID:	238024
PubChem CID:	92728861
Reduced:	SO2N5C25H29 (1)
Stoich.:	AB2C5D25E29 (1)
Weight, g/mol:	463.204196
ΔH_f, kcal/mol:	-6.17
Dipole, Da:	5.54
IP(EA), eV:	-9.18(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1)C(=O)N2CCN(CC2)CC(=O)NC3=NN=C(S3)C4=CC=CC=C4C

DOS

IR

Vibrations