Geometry & MOs

Info

ID:	277778
PubChem CID:	103830937
Reduced:	OSN3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	-25.95
Dipole, Da:	4.21
IP(EA), eV:	-8.68(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 4-[[(2S)-2-aminohexanoyl]amino]benzoate

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1=CC2=C(C=C1)N=C(S2)C)N

DOS

IR

Vibrations