Geometry & MOs

Info

ID:	26378
PubChem CID:	645561
Reduced:	NSO3C10H13 (2)
Stoich.:	ABC3D10E13 (2)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	-188.37
Dipole, Da:	1.18
IP(EA), eV:	-8.19(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(cyclohexylamino)-2-oxoethyl]indole-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)OC

DOS

IR

Vibrations