Geometry & MOs

Info

ID:	194245
PubChem CID:	78503458
Reduced:	FOSN4C20H21 (1)
Stoich.:	ABCD4E20F21 (1)
Weight, g/mol:	416.1139
ΔH_f, kcal/mol:	22.79
Dipole, Da:	4.9
IP(EA), eV:	-9.28(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NN=NN2C3=CC(=CC=C3)F

DOS

IR

Vibrations