Geometry & MOs

Info

ID:	185681
PubChem CID:	77332034
Reduced:	O4N5C13H21 (1)
Stoich.:	A4B5C13D21 (1)
Weight, g/mol:	539.256626
ΔH_f, kcal/mol:	-131.58
Dipole, Da:	4.86
IP(EA), eV:	-10.11(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[ethylsulfonyl(methyl)amino]-3-phenylpropanoyl]-N-(4-methanehydrazonoylphenyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O)N.C1=CC=C(C(=C1)C(=O)NN)C(=O)NN

DOS

IR

Vibrations