Geometry & MOs

Info

ID:	229442
PubChem CID:	87567675
Reduced:	N2O5C7H14 (1)
Stoich.:	A2B5C7D14 (1)
Weight, g/mol:	465.092533
ΔH_f, kcal/mol:	-183.88
Dipole, Da:	6.54
IP(EA), eV:	-9.8(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-chloro-2-[[1-[(4-fluorophenyl)methyl]-4-(1-hydroxy-2-methylpropyl)pyrrole-2-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid

Drug info:

PubChemData

Smile

CN([C@@H](CO)C(=O)N(C)OC)C(=O)O

DOS

IR

Vibrations