Geometry & MOs

Info

ID:	339464
PubChem CID:	127261397
Reduced:	OSN2C12H16 (2)
Stoich.:	ABC2D12E16 (2)
Weight, g/mol:	466.150427
ΔH_f, kcal/mol:	-36.82
Dipole, Da:	10.57
IP(EA), eV:	-9.03(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-methyl-5-[[2-phenyl-5-(trifluoromethyl)benzoyl]amino]indole-2-carboxylate

Drug info:

PubChemData

Smile

CCCCN1C(=O)/C(=C/C2=C(N(C(=O)C(=C2C)C#N)CC)N3CCCCC3CC)/SC1=S

DOS

IR

Vibrations