Geometry & MOs

Info

ID:	194281
PubChem CID:	78510064
Reduced:	S2N3O3C20H29 (1)
Stoich.:	A2B3C3D20E29 (1)
Weight, g/mol:	365.101171
ΔH_f, kcal/mol:	-103.5
Dipole, Da:	6.59
IP(EA), eV:	-9.05(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3-(2-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCC(C)CC1=C(SC2=NC(=NC(=O)C12)SCC(=O)N3CC(OC(C3)C)C)C

DOS

IR

Vibrations