Geometry & MOs

Info

ID:	59513
PubChem CID:	24875226
Reduced:	N3O4C30H31 (1)
Stoich.:	A3B4C30D31 (1)
Weight, g/mol:	490.201634
ΔH_f, kcal/mol:	-105.33
Dipole, Da:	7.88
IP(EA), eV:	-8.85(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-ethyl-4-fluoro-6-methylbenzoyl)amino]-3-[4-[5-[(1H-imidazol-2-ylamino)methyl]furan-2-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)NCC2=CC=C(O2)C3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4=C(C=C(C=C4C)C)C

DOS

IR

Vibrations