Geometry & MOs

Info

ID:	277256
PubChem CID:	103827521
Reduced:	ON5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	308.047619
ΔH_f, kcal/mol:	32.01
Dipole, Da:	5.05
IP(EA), eV:	-9.23(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-methylsulfonyl-N-[2-(trifluoromethylsulfanyl)ethyl]butanamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCNC2=NC=NC3=C2CCCCC3

DOS

IR

Vibrations