Geometry & MOs

Info

ID:	182271
PubChem CID:	76869252
Reduced:	BrSO2N3H20C22 (1)
Stoich.:	ABC2D3E20F22 (1)
Weight, g/mol:	354.132805
ΔH_f, kcal/mol:	9.68
Dipole, Da:	8.78
IP(EA), eV:	-8.9(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-morpholin-4-ylpyridin-3-yl)-3-(2-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)N(C)C(=O)C=CC2=CSC(=N2)N(C3=CC=CC=C3)C(=O)C

DOS

IR

Vibrations