Geometry & MOs

Info

ID:	140711
PubChem CID:	52744475
Reduced:	FN2O2C24H31 (1)
Stoich.:	AB2C2D24E31 (1)
Weight, g/mol:	448.178041
ΔH_f, kcal/mol:	-115.21
Dipole, Da:	4.47
IP(EA), eV:	-8.25(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[4-(diethylsulfamoyl)-2-nitroanilino]-N,N-dimethyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC[C@@H]1CCN(C1)C2=CC=C(C=C2)F)OC3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations