Geometry & MOs

Info

ID:	171183
PubChem CID:	75340216
Reduced:	ISN4O6C25H25 (1)
Stoich.:	ABC4D6E25F25 (1)
Weight, g/mol:	489.101286
ΔH_f, kcal/mol:	-82.15
Dipole, Da:	8.56
IP(EA), eV:	-9.04(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[5-[[3-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1COCCN1C2=CC(=C(C=C2C=C3C(=O)N(C(=O)S3)CC4=CC=C(C=C4)I)[N+](=O)[O-])N5CCOCC5

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1COCCN1C2=CC(=C(C=C2C=C3C(=O)N(C(=O)S3)CC4=CC=C(C=C4)I)[N+](=O)[O-])N5CCOCC5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):