Geometry & MOs

Info

ID:	150082
PubChem CID:	53789768
Reduced:	SN2O7C12H16 (1)
Stoich.:	AB2C7D12E16 (1)
Weight, g/mol:	271.128054
ΔH_f, kcal/mol:	-301.82
Dipole, Da:	0.37
IP(EA), eV:	-9.14(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(diaminomethylideneamino)propyl]-5-hydroxy-3-methyl-2-oxoimidazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

COC(=O)CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CS)O)O

DOS

IR

Vibrations