Geometry & MOs

Info

ID:	404426
PubChem CID:	135066281
Reduced:	S2N3O5C21H21 (1)
Stoich.:	A2B3C5D21E21 (1)
Weight, g/mol:	395.109978
ΔH_f, kcal/mol:	-134.35
Dipole, Da:	11.22
IP(EA), eV:	-8.63(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S)-3-(4-chlorophenyl)-2,2-difluoro-3-oxo-1-phenylpropyl]carbamate

Drug info:

PubChemData

Smile

C1COC(=O)N1C(=O)[C@H]2[C@@H](N(C(=S)N2)S(=O)(=O)C3=CC=CC=C3)CCC4=CC=CC=C4

DOS

IR

Vibrations