Geometry & MOs

Info

ID:	140536
PubChem CID:	52716907
Reduced:	N2O3C25H28 (1)
Stoich.:	A2B3C25D28 (1)
Weight, g/mol:	402.097346
ΔH_f, kcal/mol:	-69.37
Dipole, Da:	1.27
IP(EA), eV:	-8.57(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-3-methyl-1-oxo-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)N(C[C@H]3CCCO3)CC4=CN=CC=C4

DOS

IR

Vibrations