Geometry & MOs

Info

ID:	135723
PubChem CID:	51921367
Reduced:	N3O5C26H33 (1)
Stoich.:	A3B5C26D33 (1)
Weight, g/mol:	450.142485
ΔH_f, kcal/mol:	-175.09
Dipole, Da:	4.28
IP(EA), eV:	-8.54(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] (2R)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N[C@H](C(C)C)C(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations