Geometry & MOs

Info

ID:	156581
PubChem CID:	56371227
Reduced:	SO2N5C21H25 (1)
Stoich.:	AB2C5D21E25 (1)
Weight, g/mol:	437.267842
ΔH_f, kcal/mol:	-28.95
Dipole, Da:	8.4
IP(EA), eV:	-7.85(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)CC3=CN4C=CSC4=N3

DOS

IR

Vibrations