Geometry & MOs

Info

ID:	78616
PubChem CID:	49700969
Reduced:	ClFO2S2N5C18H21 (1)
Stoich.:	ABC2D2E5F18G21 (1)
Weight, g/mol:	469.10091
ΔH_f, kcal/mol:	-68.51
Dipole, Da:	1.48
IP(EA), eV:	-8.9(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[4-(5-chloro-2-methoxybenzoyl)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)C3=C(C=CC=C3Cl)F

DOS

IR

Vibrations