Geometry & MOs

Info

ID:	237645
PubChem CID:	92720128
Reduced:	SN3O5H25C26 (1)
Stoich.:	AB3C5D25E26 (1)
Weight, g/mol:	145.110279
ΔH_f, kcal/mol:	-115.59
Dipole, Da:	3.84
IP(EA), eV:	-8.94(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-amino-1-cyclopropylbutane-1,4-diol

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N(C)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC=CO4

DOS

IR

Vibrations