Geometry & MOs

Info

ID:	431513
PubChem CID:	135171594
Reduced:	ClO2H9C18 (1)
Stoich.:	AB2C9D18 (1)
Weight, g/mol:	682.211641
ΔH_f, kcal/mol:	11.87
Dipole, Da:	2.59
IP(EA), eV:	-8.94(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[2-[3-acetyl-6-(diethoxyphosphorylmethoxy)-5-pyrimidin-5-ylindol-1-yl]acetyl]-4-(difluoromethylidene)-N-pyridin-2-ylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(O2)C4=C(C=C3)OC5=C4C=C(C=C5)Cl

DOS

IR

Vibrations