Geometry & MOs

Info

ID:	135165
PubChem CID:	51827817
Reduced:	SN2O4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	396.208279
ΔH_f, kcal/mol:	-163.01
Dipole, Da:	1.49
IP(EA), eV:	-8.81(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[(1R)-2-(tert-butylamino)-1-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]-3-sulfanylpropanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C1=CC2=C(C=C1)OCO2)N(C(=O)CCS)C(C)(C)C

DOS

IR

Vibrations