Geometry & MOs

Info

ID:	199369
PubChem CID:	79235467
Reduced:	NSO2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	239.163377
ΔH_f, kcal/mol:	-51.65
Dipole, Da:	3.48
IP(EA), eV:	-9.2(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pentanamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)CSCC(=O)O

DOS

IR

Vibrations