Geometry & MOs

Info

ID:	157207
PubChem CID:	56422398
Reduced:	SO2N3C25H31 (1)
Stoich.:	AB2C3D25E31 (1)
Weight, g/mol:	426.208947
ΔH_f, kcal/mol:	-55.78
Dipole, Da:	7.41
IP(EA), eV:	-8.96(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-indol-5-yl)-3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-N-(4-methylpentan-2-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)CC(C)N(C1=CC2=C(C=C1)NC=C2)C(=O)CCC(=O)N3CCC4=C(C3)C=CS4

DOS

IR

Vibrations