Geometry & MOs

Info

ID:	140043
PubChem CID:	52635671
Reduced:	SN3O3C20H24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	385.146013
ΔH_f, kcal/mol:	-39.71
Dipole, Da:	14.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.915596
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-cyanophenyl)methylsulfonyl]-N-[4-(diethylamino)phenyl]acetamide

Drug info:

PubChemData

Smile

CC[NH+](CC)C1=CC=C(C=C1)NC(=O)CS(=O)(=O)CC2=CC=C(C=C2)C#N

DOS

IR

Vibrations