Geometry & MOs

Info

ID:	133597
PubChem CID:	51560363
Reduced:	S2O3N5C15H23 (1)
Stoich.:	A2B3C5D15E23 (1)
Weight, g/mol:	368.114082
ΔH_f, kcal/mol:	-93.59
Dipole, Da:	5.66
IP(EA), eV:	-8.75(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-tert-butyl-2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)NC(=O)CSC2=NN=C(S2)NC[C@@H]3CCCO3

DOS

IR

Vibrations