Geometry & MOs

Info

ID:	243359
PubChem CID:	99222712
Reduced:	F2N2O3C23H26 (1)
Stoich.:	A2B2C3D23E26 (1)
Weight, g/mol:	416.191149
ΔH_f, kcal/mol:	-194.02
Dipole, Da:	2.32
IP(EA), eV:	-9.27(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-amino-2-oxoethyl)-3-[4-(difluoromethoxy)phenyl]-N-[(1S)-1-(4-propylphenyl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)[C@@H](C)N(CC(=O)N)C(=O)/C=C/C2=CC=C(C=C2)OC(F)F

DOS

IR

Vibrations