Geometry & MOs

Info

ID:	165788
PubChem CID:	74598451
Reduced:	S2N3O3C18H27 (1)
Stoich.:	A2B3C3D18E27 (1)
Weight, g/mol:	418.164105
ΔH_f, kcal/mol:	-102.32
Dipole, Da:	7.82
IP(EA), eV:	-9.1(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-indol-3-yl)-1-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=O)C12)CSC(C)C(=O)NCCCOC(C)C)C

DOS

IR

Vibrations