Geometry & MOs

Info

ID:	431746
PubChem CID:	135171850
Reduced:	N4O5C30H32 (1)
Stoich.:	A4B5C30D32 (1)
Weight, g/mol:	501.202873
ΔH_f, kcal/mol:	-144.0
Dipole, Da:	5.4
IP(EA), eV:	-8.7(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[3-acetyl-6-diethoxyphosphoryl-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetate

Drug info:

PubChemData

Smile

CCC(C)(C)OC(=O)CN1C=C(C2=CC(=C(C=C21)NC(=O)OCC3=CC=CC=C3)C4=CN=C(N=C4)C)C(=O)C

DOS

IR

Vibrations