Geometry & MOs

Info

ID:	242754
PubChem CID:	99206100
Reduced:	BrClOS2N5H11C14 (1)
Stoich.:	ABCD2E5F11G14 (1)
Weight, g/mol:	451.120192
ΔH_f, kcal/mol:	79.41
Dipole, Da:	8.29
IP(EA), eV:	-8.91(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)Cl)Br

DOS

IR

Vibrations