Geometry & MOs

Info

ID:	344272
PubChem CID:	127267448
Reduced:	FN3O3C17H18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	303.104148
ΔH_f, kcal/mol:	-163.13
Dipole, Da:	5.14
IP(EA), eV:	-9.91(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)methyl]-4-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)C)C(=O)N2CCC(C2)C3=CC(=O)NC(=O)N3

DOS

IR

Vibrations