Geometry & MOs

Info

ID:	59538
PubChem CID:	24875267
Reduced:	N4O4C27H28 (1)
Stoich.:	A4B4C27D28 (1)
Weight, g/mol:	497.231456
ΔH_f, kcal/mol:	-88.36
Dipole, Da:	5.16
IP(EA), eV:	-9.14(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[5-[[(4-methylpyridin-2-yl)amino]methyl]furan-3-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=COC(=C3)CNC4=NC=CN4)C(=O)O)C

DOS

IR

Vibrations