Geometry & MOs

Info

ID:	196189
PubChem CID:	78794375
Reduced:	SN3O5C19H23 (1)
Stoich.:	AB3C5D19E23 (1)
Weight, g/mol:	392.151826
ΔH_f, kcal/mol:	-92.9
Dipole, Da:	10.62
IP(EA), eV:	-9.4(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-]

DOS

IR

Vibrations