Geometry & MOs

Info

ID:	229751
PubChem CID:	87568792
Reduced:	S2N3O3C22H27 (1)
Stoich.:	A2B3C3D22E27 (1)
Weight, g/mol:	545.116303
ΔH_f, kcal/mol:	-72.25
Dipole, Da:	3.28
IP(EA), eV:	-9.0(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-chloro-2-[[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(2-methylpropyl)pyrrole-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC(=CN2CCC3=CSC=C3)CC(C)C

DOS

IR

Vibrations