Geometry & MOs

Info

ID:	314936
PubChem CID:	126623989
Reduced:	SO2N5H13C15 (1)
Stoich.:	AB2C5D13E15 (1)
Weight, g/mol:	483.201888
ΔH_f, kcal/mol:	27.6
Dipole, Da:	5.27
IP(EA), eV:	-9.0(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=S)N)CC(=O)O

DOS

IR

Vibrations