Geometry & MOs

Info

ID:	187449
PubChem CID:	77572951
Reduced:	SO2N4C14H22 (1)
Stoich.:	AB2C4D14E22 (1)
Weight, g/mol:	589.294057
ΔH_f, kcal/mol:	-37.06
Dipole, Da:	5.06
IP(EA), eV:	-9.06(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[7-(4-tert-butylphenoxy)-1-(cyclopentylmethyl)isoquinoline-3-carbonyl]amino]-3-indol-1-ylpropanoic acid

Drug info:

PubChemData

Smile

C1CN(CC1CC2=CC=CC=C2)S(=O)(=O)C3CNNC3N

DOS

IR

Vibrations