Geometry & MOs

Info

ID:	78615
PubChem CID:	49700949
Reduced:	O2S2N5C19H25 (1)
Stoich.:	A2B2C5D19E25 (1)
Weight, g/mol:	457.080923
ΔH_f, kcal/mol:	-21.08
Dipole, Da:	2.68
IP(EA), eV:	-8.56(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N2CCN(CC2)C3=NN=C(S3)SCC(=O)NC(C)C

DOS

IR

Vibrations