Geometry & MOs

Info

ID:	401140
PubChem CID:	135050287
Reduced:	N2O2C17H24 (1)
Stoich.:	A2B2C17D24 (1)
Weight, g/mol:	235.103085
ΔH_f, kcal/mol:	-82.82
Dipole, Da:	3.9
IP(EA), eV:	-9.47(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-methylsulfanyl-1-phenyl-3-(propan-2-ylamino)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCC1CN([C@@H](N(C1=O)C)C(C)C)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations