Geometry & MOs

Info

ID:	61444
PubChem CID:	26709440
Reduced:	S2N3O3C21H21 (1)
Stoich.:	A2B3C3D21E21 (1)
Weight, g/mol:	457.203528
ΔH_f, kcal/mol:	-59.84
Dipole, Da:	5.7
IP(EA), eV:	-8.43(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-morpholin-4-ylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NC3=CC=C(C=C3)C4=CSC(=N4)C

DOS

IR

Vibrations