Geometry & MOs

Info

ID:	187827
PubChem CID:	77631057
Reduced:	ClFO3N4C23H26 (1)
Stoich.:	ABC3D4E23F26 (1)
Weight, g/mol:	542.187543
ΔH_f, kcal/mol:	-103.6
Dipole, Da:	8.64
IP(EA), eV:	-8.64(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-benzhydrylthiophene-2-carbonyl)amino]-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid

Drug info:

PubChemData

Smile

CC(C)COC(=O)NC1CCN(C1)C2=NC(=C3C=CC=CC3=O)N=C4C2C=C(C=C4)F.Cl

DOS

IR

Vibrations