Geometry & MOs

Info

ID:	205456
PubChem CID:	80106330
Reduced:	SO4C11H14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	258.100442
ΔH_f, kcal/mol:	-146.6
Dipole, Da:	3.39
IP(EA), eV:	-8.87(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxyphenyl)methyl 2,4-diaminobenzoate

Drug info:

PubChemData

Smile

CC(CC(=O)O)S(=O)CC1=CC(=CC=C1)O

DOS

IR

Vibrations