Geometry & MOs

Info

ID:	195434
PubChem CID:	78684576
Reduced:	SN4O5C15H16 (1)
Stoich.:	AB4C5D15E16 (1)
Weight, g/mol:	366.99901
ΔH_f, kcal/mol:	-39.69
Dipole, Da:	4.2
IP(EA), eV:	-9.19(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromophenyl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])SC2=NN=C(O2)C3CC3

DOS

IR

Vibrations