Geometry & MOs

Info

ID:	131004
PubChem CID:	51142848
Reduced:	FO2S2N3C18H18 (1)
Stoich.:	AB2C2D3E18F18 (1)
Weight, g/mol:	389.114234
ΔH_f, kcal/mol:	-32.85
Dipole, Da:	6.5
IP(EA), eV:	-9.03(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-N-methyl-2-morpholin-4-yl-5-nitrobenzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)CCSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CC=C3F

DOS

IR

Vibrations