Geometry & MOs

Info

ID:	141568
PubChem CID:	52894490
Reduced:	NO5C24H29 (1)
Stoich.:	AB5C24D29 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	-153.36
Dipole, Da:	3.65
IP(EA), eV:	-8.73(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C/C(=O)NC[C@H]2CCCO2)OCCOC3=CC=CC=C3

DOS

IR

Vibrations