Geometry & MOs

Info

ID:	448967
PubChem CID:	135294863
Reduced:	F2C27H36 (1)
Stoich.:	A2B27C36 (1)
Weight, g/mol:	463.22712
ΔH_f, kcal/mol:	-55.5
Dipole, Da:	3.53
IP(EA), eV:	-8.07(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-[(Z)-2-amino-4-oxopent-2-en-3-yl]-1-[(1-fluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]-2-methylbenzoic acid

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C(C1)C)C)/C=C(\C=C)/C2=C(C=C2C)C)CC3CCC(CC3)(F)F

DOS

IR

Vibrations