Geometry & MOs

Info

ID:	156041
PubChem CID:	56368884
Reduced:	SN2F3O5C18H23 (1)
Stoich.:	AB2C3D5E18F23 (1)
Weight, g/mol:	412.130218
ΔH_f, kcal/mol:	-351.42
Dipole, Da:	6.8
IP(EA), eV:	-9.54(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[4-(3-chloro-4-imidazol-1-ylanilino)-4-oxobutyl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)CN(C)C(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations