Geometry & MOs

Info

ID:	186021
PubChem CID:	77380583
Reduced:	S2N5O6C22H27 (1)
Stoich.:	A2B5C6D22E27 (1)
Weight, g/mol:	270.173213
ΔH_f, kcal/mol:	-119.41
Dipole, Da:	6.74
IP(EA), eV:	-7.71(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-1-indol-1-ylnon-2-en-4-one

Drug info:

PubChemData

Smile

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C.C1=CC(=CC=C1N)S(=O)(=O)N

DOS

IR

Vibrations