Geometry & MOs

Info

ID:	378452
PubChem CID:	134224534
Reduced:	NO2C8H17 (1)
Stoich.:	AB2C8D17 (1)
Weight, g/mol:	274.116486
ΔH_f, kcal/mol:	-114.81
Dipole, Da:	2.05
IP(EA), eV:	-9.26(2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(7S,8S,9S)-8,9-dihydroxy-7-(hydroxymethyl)-5-oxo-2,4,7,8,9,9a-hexahydro-1H-pyrrolo[1,2-d][1,4]diazepin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCC[C@@H]1C[C@H]([C@H](N1)CO)O

DOS

IR

Vibrations