Geometry & MOs

Info

ID:	182397
PubChem CID:	76884305
Reduced:	BrSN2O3H17C18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	428.184841
ΔH_f, kcal/mol:	-47.72
Dipole, Da:	5.81
IP(EA), eV:	-9.18(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-cyanoethyl)indol-3-yl]-N-[4-(morpholine-4-carbonyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=CC=C(C=C2)NC(=O)C=CC3=CC=C(S3)Br

DOS

IR

Vibrations