Geometry & MOs

Info

ID:	328545
PubChem CID:	126724401
Reduced:	ClN3O5C25H26 (1)
Stoich.:	AB3C5D25E26 (1)
Weight, g/mol:	482.16085
ΔH_f, kcal/mol:	-157.23
Dipole, Da:	3.19
IP(EA), eV:	-9.37(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(4R)-1-[4-(3-chlorophenyl)phenyl]-5-ethoxy-4-methyl-5-oxopentan-2-yl]carbamoyl]-1H-pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C)CC(CC1=CC=C(C=C1)C2=CC(=CC=C2)Cl)NC(=O)C3=NNC(=C3)C(=O)O

DOS

IR

Vibrations