Geometry & MOs

Info

ID:	302406
PubChem CID:	124361594
Reduced:	N2O5H20C25 (1)
Stoich.:	A2B5C20D25 (1)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	-118.1
Dipole, Da:	1.64
IP(EA), eV:	-9.48(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-phenyl-2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@H](C(=O)NCC(=O)O)NC(=O)C2=CC=CC3=C2C4=CC=CC=C4C3=O

DOS

IR

Vibrations