Geometry & MOs

Info

ID:	238759
PubChem CID:	93165429
Reduced:	SN2O3C14H26 (1)
Stoich.:	AB2C3D14E26 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	-162.58
Dipole, Da:	5.31
IP(EA), eV:	-8.68(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)CCC(=O)N[C@@H](CCSC)C(=O)O

DOS

IR

Vibrations