Geometry & MOs

Info

ID:	168577
PubChem CID:	74989600
Reduced:	N3O5C24H35 (1)
Stoich.:	A3B5C24D35 (1)
Weight, g/mol:	443.086115
ΔH_f, kcal/mol:	-240.48
Dipole, Da:	3.26
IP(EA), eV:	-9.39(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-4-[[4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]methoxy]-3-propylbenzoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N)NC(=O)C(CC(C)C)NC(=O)CC1CC(=O)C2=C1C=C(C=C2)OC

DOS

IR

Vibrations