Geometry & MOs

Info

ID:	498
PubChem CID:	2873
Reduced:	ClN3O4H20C22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	425.114234
ΔH_f, kcal/mol:	-100.5
Dipole, Da:	2.78
IP(EA), eV:	-9.15(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-phenylpropanoyl]azetidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C(CN1C(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl)C(=O)O

DOS

IR

Vibrations