Geometry & MOs

Info

ID:	314937
PubChem CID:	126623990
Reduced:	O3N7H25C26 (1)
Stoich.:	A3B7C25D26 (1)
Weight, g/mol:	483.201888
ΔH_f, kcal/mol:	9.67
Dipole, Da:	8.18
IP(EA), eV:	-8.44(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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(=CC=C1)NC(=O)[C@@H]2CCN2C(=O)CN3C=C(C4=C3C=CC(=C4)NC5=CN=CN=C5)C(=O)C

DOS

IR

Vibrations