Geometry & MOs

Info

ID:	84476
PubChem CID:	49866641
Reduced:	P3N5C15O17H28 (1)
Stoich.:	A3B5C15D17E28 (1)
Weight, g/mol:	133.01975
ΔH_f, kcal/mol:	-894.92
Dipole, Da:	6.46
IP(EA), eV:	-9.02(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-amino-3-sulfanylbut-2-enoic acid

Drug info:

PubChemData

Smile

C1N[C@H](C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)OP(=O)(O)O)N

DOS

IR

Vibrations