Geometry & MOs

Info

ID:	341793
PubChem CID:	127264486
Reduced:	BrSO2N3H16C22 (1)
Stoich.:	ABC2D3E16F22 (1)
Weight, g/mol:	237.100108
ΔH_f, kcal/mol:	34.06
Dipole, Da:	6.29
IP(EA), eV:	-8.41(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroxy-4-(morpholin-4-ylmethyl)benzaldehyde

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2N=CC(=C3)Br)C4=C5C=CNC5=CC=C4

DOS

IR

Vibrations