Geometry & MOs

Info

ID:	376638
PubChem CID:	134222659
Reduced:	SO3N4C29H36 (1)
Stoich.:	AB3C4D29E36 (1)
Weight, g/mol:	513.27399
ΔH_f, kcal/mol:	-80.67
Dipole, Da:	4.9
IP(EA), eV:	-8.66(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[4-[2-[[5-[4-(1-aminocyclopropyl)phenyl]-4-pyridin-2-ylpyridin-2-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)C2=C(C=C(C=N2)NC(=O)CC3CCC(CC3)N(C)C(=O)OC)C4=CSC=C4)N

DOS

IR

Vibrations