Geometry & MOs

Info

ID:	130887
PubChem CID:	51121831
Reduced:	OSN5C17H19 (1)
Stoich.:	ABC5D17E19 (1)
Weight, g/mol:	379.138819
ΔH_f, kcal/mol:	42.93
Dipole, Da:	8.07
IP(EA), eV:	-9.58(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=C2C=C(C=CC2=N1)C(=O)NC3=NN=C(S3)C(C)(C)C)C

DOS

IR

Vibrations