Geometry & MOs

Info

ID:	229750
PubChem CID:	87568791
Reduced:	SCl2F3N3O4H20C22 (1)
Stoich.:	AB2C3D3E4F20G22 (1)
Weight, g/mol:	445.149384
ΔH_f, kcal/mol:	-276.03
Dipole, Da:	3.67
IP(EA), eV:	-9.29(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[[4-(2-methylpropyl)-1-(2-thiophen-3-ylethyl)pyrrole-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

CC(C)C(C1=CN(C(=C1)C(=O)NC2=NC(=C(S2)Cl)CC(=O)O)CC3=CC(=C(C=C3)Cl)C(F)(F)F)O

DOS

IR

Vibrations