Geometry & MOs

Info

ID:	223668
PubChem CID:	85335394
Reduced:	ClON7C25H36 (1)
Stoich.:	ABC7D25E36 (1)
Weight, g/mol:	479.036099
ΔH_f, kcal/mol:	40.73
Dipole, Da:	8.68
IP(EA), eV:	-9.0(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[[2-(2,4-dichlorophenyl)-5-methoxy-1,3-thiazol-4-yl]oxymethyl]phenyl]-3-methoxyprop-2-enoate

Drug info:

PubChemData

Smile

CCC(C1NC2C(C(NN2)Cl)C(=O)N1CC3=CC=CC=C3)N(CCN(C)C)CC4=CC=NC=C4

DOS

IR

Vibrations