Geometry & MOs

Info

ID:	56854
PubChem CID:	22394404
Reduced:	SCl3N4O4C27H27 (1)
Stoich.:	AB3C4D4E27F27 (1)
Weight, g/mol:	294.100442
ΔH_f, kcal/mol:	-55.2
Dipole, Da:	2.15
IP(EA), eV:	-8.62(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-carbamoylphenyl)methyl]indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)C(C(=O)C2=CC3=CC(=CC(=C3N2CC4=NOC(=C4)C5=CC=C(S5)Cl)Cl)Cl)(C(=O)O)N

DOS

IR

Vibrations