Geometry & MOs

Info

ID:	388894
PubChem CID:	134990539
Reduced:	SN2O4H26C28 (1)
Stoich.:	AB2C4D26E28 (1)
Weight, g/mol:	342.093519
ΔH_f, kcal/mol:	-75.31
Dipole, Da:	5.02
IP(EA), eV:	-9.54(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-(cyclopropylmethyl)-3-(2-fluorophenyl)indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3=CC=CC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)C

DOS

IR

Vibrations