Geometry & MOs

Info

ID:	177950
PubChem CID:	76257237
Reduced:	O2S2N5C17H19 (1)
Stoich.:	A2B2C5D17E19 (1)
Weight, g/mol:	415.192963
ΔH_f, kcal/mol:	14.22
Dipole, Da:	8.37
IP(EA), eV:	-8.76(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(diethylaminomethyl)phenyl]-3-(2-phenylethenylsulfonylamino)propanamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)CSCC2=NC(=O)C3C4=C(CCC4)SC3=N2)C

DOS

IR

Vibrations