Geometry & MOs

Info

ID:	379145
PubChem CID:	134354928
Reduced:	SO3N6H12C13 (1)
Stoich.:	AB3C6D12E13 (1)
Weight, g/mol:	374.170253
ΔH_f, kcal/mol:	24.5
Dipole, Da:	1.95
IP(EA), eV:	-9.1(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[(2-methoxyphenyl)carbamoylamino]-3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NCC2=NC(=NO2)C3=NC=CN=C3)C(=O)OC

DOS

IR

Vibrations