Geometry & MOs

Info

ID:	87313
PubChem CID:	49893942
Reduced:	NSO4H25C27 (1)
Stoich.:	ABC4D25E27 (1)
Weight, g/mol:	628.9926
ΔH_f, kcal/mol:	-88.16
Dipole, Da:	2.51
IP(EA), eV:	-8.81(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=CC=C3)OCCOC4=CC=C(C=C4)C)/SC2=O

DOS

IR

Vibrations