Geometry & MOs

Info

ID:	59512
PubChem CID:	24875225
Reduced:	N4O4H30C31 (1)
Stoich.:	A4B4C30D31 (1)
Weight, g/mol:	497.231456
ΔH_f, kcal/mol:	-70.39
Dipole, Da:	7.56
IP(EA), eV:	-8.62(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[5-[[(4-methylpyridin-2-yl)amino]methyl]furan-2-yl]phenyl]-2-[(2,4,6-trimethylbenzoyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(=O)NC(CC2=CC(=C(C=C2)C3=CC=CO3)CNC4=NC5=CC=CC=C5N4)C(=O)O)C

DOS

IR

Vibrations