Geometry & MOs

Info

ID:	214265
PubChem CID:	84974833
Reduced:	SO2N3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	415.192963
ΔH_f, kcal/mol:	-45.67
Dipole, Da:	5.02
IP(EA), eV:	-8.18(-0.34)
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]-4-methoxybenzamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations