Geometry & MOs

Info

ID:	298980
PubChem CID:	117664958
Reduced:	BrSO2N4C21H29 (1)
Stoich.:	ABC2D4E21F29 (1)
Weight, g/mol:	569.246061
ΔH_f, kcal/mol:	-66.71
Dipole, Da:	2.03
IP(EA), eV:	-8.94(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-phenylphenyl)-2-[[5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carbonyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1(CC(CC(N1)(C)C)NC2=NC=C(C(=N2)C3=CC=C(S3)CCCC(=O)O)Br)C

DOS

IR

Vibrations