Geometry & MOs

Info

ID:	88442
PubChem CID:	49903546
Reduced:	BrINSO4H21C26 (1)
Stoich.:	ABCDE4F21G26 (1)
Weight, g/mol:	636.00244
ΔH_f, kcal/mol:	-55.25
Dipole, Da:	5.71
IP(EA), eV:	-8.86(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(Z)-[3-[(2-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]naphthalen-2-yl] 4-acetamidobenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC2=C(C=C(C=C2I)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Br)OC

DOS

IR

Vibrations