Geometry & MOs

Info

ID:	59982
PubChem CID:	26527425
Reduced:	SN4O4C18H24 (1)
Stoich.:	AB4C4D18E24 (1)
Weight, g/mol:	322.142976
ΔH_f, kcal/mol:	-140.83
Dipole, Da:	4.58
IP(EA), eV:	-8.65(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(3-cyanoanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CN(C(=O)N(C3=O)C)C)C

DOS

IR

Vibrations