Geometry & MOs

Info

ID:	53719
PubChem CID:	14717800
Reduced:	N3O7C27H29 (1)
Stoich.:	A3B7C27D29 (1)
Weight, g/mol:	415.156577
ΔH_f, kcal/mol:	-248.1
Dipole, Da:	9.49
IP(EA), eV:	-9.02(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[bis[(2S)-2-amino-3-phenylpropanoyl]amino]-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C[C@@H](C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)N)O

DOS

IR

Vibrations