Geometry & MOs

Info

ID:	42914
PubChem CID:	8150182
Reduced:	SN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	371.173273
ΔH_f, kcal/mol:	-126.79
Dipole, Da:	3.57
IP(EA), eV:	-9.06(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexylmethyl 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)N(C)CCOC3=CC=CC=C3)C

DOS

IR

Vibrations