Geometry & MOs

Info

ID:	313066
PubChem CID:	126611562
Reduced:	N5O14C25H41 (1)
Stoich.:	A5B14C25D41 (1)
Weight, g/mol:	236.028935
ΔH_f, kcal/mol:	-655.01
Dipole, Da:	3.89
IP(EA), eV:	-10.32(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1Z,3Z)-5-amino-2-nitropenta-1,3-dienyl]disulfanyl]ethanol

Drug info:

PubChemData

Smile

C(C[C@@H](C=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N[C@H]([C@@H]([C@H](CCO)O)O)O)NC(=O)[C@H](CCC(=O)O)N)C=O

DOS

IR

Vibrations