Geometry & MOs

Info

ID:	176857
PubChem CID:	76105921
Reduced:	NO5C7H13 (1)
Stoich.:	AB5C7D13 (1)
Weight, g/mol:	546.109035
ΔH_f, kcal/mol:	-223.77
Dipole, Da:	1.35
IP(EA), eV:	-10.13(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dihydroxypyrrol-1-yl) 2-acetamido-4-[[3-acetamido-4-(2,5-dihydroxypyrrol-1-yl)oxy-4-oxobutyl]disulfanyl]butanoate

Drug info:

PubChemData

Smile

CC(C(C(=O)C(CO)O)NC=O)O

DOS

IR

Vibrations