Geometry & MOs

Info

ID:	431073
PubChem CID:	135171143
Reduced:	O2N5C29H41 (1)
Stoich.:	A2B5C29D41 (1)
Weight, g/mol:	453.208613
ΔH_f, kcal/mol:	82.36
Dipole, Da:	2.72
IP(EA), eV:	-8.78(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S,3R)-3-[(3-methylsulfonylphenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NC/C(=C/C)/C=C(\C)/OCCC2(N=N2)CCC#C)C(=O)C3=CC(=CN3)C=C

DOS

IR

Vibrations