Geometry & MOs

Info

ID:	439413
PubChem CID:	135229187
Reduced:	SO2F3N5C21H26 (1)
Stoich.:	AB2C3D5E21F26 (1)
Weight, g/mol:	297.151098
ΔH_f, kcal/mol:	-186.68
Dipole, Da:	10.51
IP(EA), eV:	-9.51(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(2-cyclopropyl-5-ethylsulfanyl-1-methylimidazol-4-yl)carbamate

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(N=C(N1C)C2CCC(CC2)C)C3=NC4=CC(=NC=C4N3C)C(F)(F)F

DOS

IR

Vibrations