Geometry & MOs

Info

ID:	61144
PubChem CID:	26706115
Reduced:	SN2O6C22H24 (1)
Stoich.:	AB2C6D22E24 (1)
Weight, g/mol:	469.167142
ΔH_f, kcal/mol:	-155.26
Dipole, Da:	7.44
IP(EA), eV:	-8.48(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[4-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)CC3=C(C(=C(C=C3)OC)OC)OC

DOS

IR

Vibrations