Geometry & MOs

Info

ID:	57422
PubChem CID:	22395877
Reduced:	SCl2N5O5C17H23 (1)
Stoich.:	AB2C5D5E17F23 (1)
Weight, g/mol:	620.13208
ΔH_f, kcal/mol:	-195.56
Dipole, Da:	3.84
IP(EA), eV:	-9.62(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[4-(benzenesulfonyl)thiophen-2-yl]sulfonylpyrrolidine-2-carbonyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)NC(CCCN=C(N)N)C(=O)O

DOS

IR

Vibrations