Geometry & MOs

Info

ID:	424508
PubChem CID:	135122957
Reduced:	O3N4C27H30 (1)
Stoich.:	A3B4C27D30 (1)
Weight, g/mol:	336.114378
ΔH_f, kcal/mol:	-27.34
Dipole, Da:	3.9
IP(EA), eV:	-8.56(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azane;(4-methylphenyl)sulfonyl (2R)-2-amino-3-phenylpropanoate

Drug info:

PubChemData

Smile

CN1CCC(CC1)OC2=CC=C(C=C2)N3C(=CC=N3)C4=CC5=C(C(=C4)OC)NC(=O)C56CCC6

DOS

IR

Vibrations