Geometry & MOs

Info

ID:	61378
PubChem CID:	26708721
Reduced:	SN2O2C11H11 (2)
Stoich.:	AB2C2D11E11 (2)
Weight, g/mol:	455.151492
ΔH_f, kcal/mol:	-72.83
Dipole, Da:	5.69
IP(EA), eV:	-8.07(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[4-[[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)OCC)C2=CSC(=N2)NC(=O)C3=C(C4=C(S3)N=CN(C4=O)C)C

DOS

IR

Vibrations