Geometry & MOs

Info

ID:	151543
PubChem CID:	53837776
Reduced:	NOF2H17C27 (1)
Stoich.:	ABC2D17E27 (1)
Weight, g/mol:	451.133255
ΔH_f, kcal/mol:	-6.98
Dipole, Da:	9.67
IP(EA), eV:	-8.19(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-5-(4-chloro-3-propoxybenzoyl)phenyl]piperidine-1-sulfonamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C3=CC(=CC(=C4C=CC=CC4=O)N3)C5=CC(=C(C=C5)F)F

DOS

IR

Vibrations