Geometry & MOs

Info

ID:	314973
PubChem CID:	126624062
Reduced:	SO2N6C30H40 (1)
Stoich.:	AB2C6D30E40 (1)
Weight, g/mol:	482.206639
ΔH_f, kcal/mol:	-24.93
Dipole, Da:	3.33
IP(EA), eV:	-8.42(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetyl]-N-(6-methylpyridin-2-yl)azetidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCC(CC1)N2CC(C2)N3C=CC=N3)C4=C(C5=C(S4)CCN(C5=O)CC6=C(C=C(NC6=O)C)C)C

DOS

IR

Vibrations