Geometry & MOs

Info

ID:	157839
PubChem CID:	56437533
Reduced:	O2N7C22H23 (1)
Stoich.:	A2B7C22D23 (1)
Weight, g/mol:	443.141596
ΔH_f, kcal/mol:	87.49
Dipole, Da:	3.95
IP(EA), eV:	-9.01(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-6-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]carbamoyl]phenyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)NCCCC4=NC(=NO4)C)C5=CC=CC=N5

DOS

IR

Vibrations