Geometry & MOs

Info

ID:	443142
PubChem CID:	135257839
Reduced:	SN4F5O7H25C28 (1)
Stoich.:	AB4C5D7E25F28 (1)
Weight, g/mol:	362.144199
ΔH_f, kcal/mol:	-384.47
Dipole, Da:	7.02
IP(EA), eV:	-9.21(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R)-2-(2,4-difluoroanilino)-2-oxo-1-phenylethyl]carbamate

Drug info:

PubChemData

Smile

C1CN([C@H]1C(=O)N(CC2=NC=C(C=C2)C3CCOCC3)C4=CC(=C(C=C4)C(=O)NO)O)S(=O)(=O)C5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations