Geometry & MOs

Info

ID:	339882
PubChem CID:	127261891
Reduced:	SeN3O7C12H21 (1)
Stoich.:	AB3C7D12E21 (1)
Weight, g/mol:	328.13176
ΔH_f, kcal/mol:	-303.29
Dipole, Da:	6.7
IP(EA), eV:	-9.4(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-sulfanylethyl)amino]-3-(1H-imidazol-5-yl)propanamide

Drug info:

PubChemData

Smile

C(CC(=O)N)[C@@H](C(=O)O)NC(CC[Se]CC(C(=O)O)N)C(=O)O

DOS

IR

Vibrations