Geometry & MOs

Info

ID:	63575
PubChem CID:	26758661
Reduced:	SN3O4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	385.132551
ΔH_f, kcal/mol:	-141.3
Dipole, Da:	8.33
IP(EA), eV:	-9.1(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)CCNC(=O)C2=CC=CC=C2

DOS

IR

Vibrations