Geometry & MOs

Info

ID:	57593
PubChem CID:	22425652
Reduced:	S2N3O5C20H25 (1)
Stoich.:	A2B3C5D20E25 (1)
Weight, g/mol:	416.107375
ΔH_f, kcal/mol:	-146.91
Dipole, Da:	4.91
IP(EA), eV:	-8.95(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-6-piperidin-1-ylsulfonylquinoxalin-2-amine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(C=C2)S(=O)(=O)C3CCCCC3)OC

DOS

IR

Vibrations