Geometry & MOs

Info

ID:	200452
PubChem CID:	79390895
Reduced:	NSO2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	294.161329
ΔH_f, kcal/mol:	-80.44
Dipole, Da:	1.15
IP(EA), eV:	-8.54(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[ethyl(methylsulfonyl)amino]propylamino]-2-methylbutanoate

Drug info:

PubChemData

Smile

CC(C(C)NCCSC1=CC=CC=C1)C(=O)OC

DOS

IR

Vibrations