Geometry & MOs

Info

ID:	341755
PubChem CID:	127264448
Reduced:	NBr2S2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	311.90502
ΔH_f, kcal/mol:	88.25
Dipole, Da:	3.63
IP(EA), eV:	-8.29(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-chloro-3-hydroxy-5-iodobenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N(C2=CC=C(S2)Br)C3=CC=C(S3)Br)C

DOS

IR

Vibrations