Geometry & MOs

Info

ID:	234990
PubChem CID:	92303845
Reduced:	O2S2N3C18H25 (1)
Stoich.:	A2B2C3D18E25 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-30.17
Dipole, Da:	5.23
IP(EA), eV:	-8.79(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(1H-indol-3-yl)-3-(3-nitrophenyl)-N-pentylpropanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](CC)C(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)OC

DOS

IR

Vibrations