Geometry & MOs

Info

ID:	78614
PubChem CID:	49700947
Reduced:	ClO2S2N5C16H26 (1)
Stoich.:	AB2C2D5E16F26 (1)
Weight, g/mol:	419.144967
ΔH_f, kcal/mol:	-68.14
Dipole, Da:	4.48
IP(EA), eV:	-8.8(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[4-(3-methylbenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CSC1=NN=C(S1)N2CCN(CC2)C(=O)C(C)(C)CCl

DOS

IR

Vibrations