Geometry & MOs

Info

ID:	171062
PubChem CID:	75320291
Reduced:	NSO4H25C27 (1)
Stoich.:	ABC4D25E27 (1)
Weight, g/mol:	570.00157
ΔH_f, kcal/mol:	-88.81
Dipole, Da:	5.71
IP(EA), eV:	-8.81(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-4-[[3-[(3-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)C(=CC3=CC=CC=C3OCCOC4=CC=C(C=C4)C)SC2=O

DOS

IR

Vibrations