Geometry & MOs

Info

ID:	320524
PubChem CID:	126661578
Reduced:	O2S2N4C23H26 (1)
Stoich.:	A2B2C4D23E26 (1)
Weight, g/mol:	392.192235
ΔH_f, kcal/mol:	5.81
Dipole, Da:	7.37
IP(EA), eV:	-8.56(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(azepan-4-yl)phenyl]-2-methyl-3-(1-phenylethenylsulfanyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=C(C=CC(=C2)CC=O)NC(=O)C3=CSC(=N3)C4=CC=CS4)CCN

DOS

IR

Vibrations