Geometry & MOs

Info

ID:	339883
PubChem CID:	127261892
Reduced:	SO3N6C12H20 (1)
Stoich.:	AB3C6D12E20 (1)
Weight, g/mol:	282.144038
ΔH_f, kcal/mol:	-105.17
Dipole, Da:	8.18
IP(EA), eV:	-9.08(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(NC=N1)C[C@@H](C(=O)N)N(CCS)C(=O)CNC(=O)CN

DOS

IR

Vibrations