Geometry & MOs

Info

ID:	151539
PubChem CID:	53837772
Reduced:	SN4O4C14H16 (1)
Stoich.:	AB4C4D14E16 (1)
Weight, g/mol:	337.204179
ΔH_f, kcal/mol:	-73.54
Dipole, Da:	1.33
IP(EA), eV:	-8.86(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 5-[(2-methyl-3-phenylprop-2-enyl)amino]pentanoate

Drug info:

PubChemData

Smile

C[C@H](O)OC(=O)C1=C(S[C@@H]2N1C(=O)C2)C(=CC3=CN(N=N3)C)C

DOS

IR

Vibrations