Geometry & MOs

Info

ID:	445845
PubChem CID:	135269768
Reduced:	SO2N5C25H27 (1)
Stoich.:	AB2C5D25E27 (1)
Weight, g/mol:	182.057909
ΔH_f, kcal/mol:	53.63
Dipole, Da:	4.69
IP(EA), eV:	-8.53(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[hydroxy-(4-methylphenoxy)methyl] formate

Drug info:

PubChemData

Smile

CC1=NC=C(N=C1C2=NN=C(O2)C3=CC=C(C=C3)C(C)(C)N)C4=CC=C(C=C4)S(=O)C(C)C

DOS

IR

Vibrations