Geometry & MOs

Info

ID:	65102
PubChem CID:	29204472
Reduced:	SN3O5C21H23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	446.162391
ΔH_f, kcal/mol:	-161.42
Dipole, Da:	4.46
IP(EA), eV:	-9.16(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-nitroanilino)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[C@H]3C(=O)NC4=CC=CC=C4O3

DOS

IR

Vibrations