Geometry & MOs

Info

ID:	237651
PubChem CID:	92720176
Reduced:	ClSO2N5C23H28 (1)
Stoich.:	ABC2D5E23F28 (1)
Weight, g/mol:	497.097619
ΔH_f, kcal/mol:	-63.87
Dipole, Da:	6.06
IP(EA), eV:	-9.36(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-[[5-[(1R)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C=NN=C2S[C@@H](C)C(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4)Cl

DOS

IR

Vibrations