Geometry & MOs

Info

ID:	56663
PubChem CID:	17505355
Reduced:	SN3O4H21C23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	430.192629
ΔH_f, kcal/mol:	-74.05
Dipole, Da:	4.85
IP(EA), eV:	-8.84(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)CN2C=NC3=C(C2=O)SC(=C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations