Geometry & MOs

Info

ID:	214264
PubChem CID:	84974832
Reduced:	SN3O6C17H23 (1)
Stoich.:	AB3C6D17E23 (1)
Weight, g/mol:	385.182398
ΔH_f, kcal/mol:	-258.86
Dipole, Da:	6.5
IP(EA), eV:	-9.12(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[4-(dimethylamino)phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)NC(=O)C(C)OC(=O)C1=CC2=C(C=C1)N(CC2)S(=O)(=O)C

DOS

IR

Vibrations