Geometry & MOs

Info

ID:	181868
PubChem CID:	76806881
Reduced:	FO2N6C22H27 (1)
Stoich.:	AB2C6D22E27 (1)
Weight, g/mol:	477.237604
ΔH_f, kcal/mol:	-77.53
Dipole, Da:	4.71
IP(EA), eV:	-9.11(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-3-methylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCCN(C1)C2=NC(=NC(=C2)C3=CC(=C(C=C3)C#N)F)NC

DOS

IR

Vibrations