Geometry & MOs

Info

ID:	354897
PubChem CID:	127287657
Reduced:	SO3N4C18H26 (1)
Stoich.:	AB3C4D18E26 (1)
Weight, g/mol:	385.112999
ΔH_f, kcal/mol:	-97.33
Dipole, Da:	8.39
IP(EA), eV:	-8.99(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclopropyl-4-oxopyrimidin-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCN(CC1)C(=O)C)SC2=NC(=O)C=CN2C3CC3

DOS

IR

Vibrations