Geometry & MOs

Info

ID:	218919
PubChem CID:	85090158
Reduced:	C20H23 (2)
Stoich.:	A20B23 (2)
Weight, g/mol:	527.202048
ΔH_f, kcal/mol:	103.62
Dipole, Da:	1.11
IP(EA), eV:	-7.91(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[4-[4-[3-(butylamino)-3-oxoprop-1-enyl]phenyl]-2-(2,5-difluorophenyl)-1H-imidazol-5-yl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C#CC2=C(C=CC(=C2C)C)C)C)C)C

DOS

IR

Vibrations