Geometry & MOs

Info

ID:	157874
PubChem CID:	56437660
Reduced:	BrSO3N4C16H19 (1)
Stoich.:	ABC3D4E16F19 (1)
Weight, g/mol:	350.202799
ΔH_f, kcal/mol:	-59.54
Dipole, Da:	6.48
IP(EA), eV:	-8.99(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-butan-2-ylsulfanyl-2-methylanilino)-2-oxoethyl]-4-methylpentanamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCNC(=O)CSCC(=O)NC2=CC(=CC=C2)Br

DOS

IR

Vibrations