Geometry & MOs

Info

ID:	430825
PubChem CID:	135170892
Reduced:	NPSO3H6C7 (1)
Stoich.:	ABCD3E6F7 (1)
Weight, g/mol:	389.210327
ΔH_f, kcal/mol:	-103.51
Dipole, Da:	4.81
IP(EA), eV:	-9.37(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-3-benzamidocyclohexyl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC2=C1C(=O)OC(=O)N2P

DOS

IR

Vibrations