Geometry & MOs

Info

ID:	135302
PubChem CID:	51848417
Reduced:	SN2O5C28H32 (1)
Stoich.:	AB2C5D28E32 (1)
Weight, g/mol:	432.204907
ΔH_f, kcal/mol:	-155.9
Dipole, Da:	10.1
IP(EA), eV:	-9.38(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(tert-butylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-4-methoxy-N-phenylbenzamide

Drug info:

PubChemData

Smile

CCCCC[C@H](C(=O)NCS(=O)(=O)C1=CC=C(C=C1)C)N(C2=CC=CC=C2)C(=O)C3=CC=CC=C3O

DOS

IR

Vibrations