Geometry & MOs

Info

ID:	34513
PubChem CID:	7978601
Reduced:	FSN2O3H19C21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	426.166998
ΔH_f, kcal/mol:	-98.5
Dipole, Da:	6.96
IP(EA), eV:	-9.19(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-6-[(1-butyl-5-chloro-3-methylpyrazole-4-carbonyl)oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations