Geometry & MOs

Info

ID:	243358
PubChem CID:	99222711
Reduced:	O2S2N4C23H28 (1)
Stoich.:	A2B2C4D23E28 (1)
Weight, g/mol:	416.191149
ΔH_f, kcal/mol:	-43.28
Dipole, Da:	4.45
IP(EA), eV:	-8.85(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-amino-2-oxoethyl)-3-[4-(difluoromethoxy)phenyl]-N-[(1R)-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)CSC2=NC=NC3=C2C(=C(S3)C)C

DOS

IR

Vibrations