Geometry & MOs

Info

ID:	53720
PubChem CID:	14717803
Reduced:	SN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	395.137573
ΔH_f, kcal/mol:	-126.94
Dipole, Da:	1.88
IP(EA), eV:	-9.22(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[bis[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)N([C@H](CS)C(=O)O)C(=O)[C@H](CC2=CC=CC=C2)N)N

DOS

IR

Vibrations