Geometry & MOs

Info

ID:	16182
PubChem CID:	460995
Reduced:	SN2O3C25H34 (1)
Stoich.:	AB2C3D25E34 (1)
Weight, g/mol:	442.229014
ΔH_f, kcal/mol:	-142.0
Dipole, Da:	3.68
IP(EA), eV:	-8.86(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[3-[2-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-2-hydroxypropyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=CC=CC=C1SCC(CC2=CC=CC=C2C(=O)NC(C)(C)C)O

DOS

IR

Vibrations