Geometry & MOs

Info

ID:	431910
PubChem CID:	135172031
Reduced:	N3O4C29H41 (1)
Stoich.:	A3B4C29D41 (1)
Weight, g/mol:	473.206304
ΔH_f, kcal/mol:	-182.46
Dipole, Da:	4.72
IP(EA), eV:	-8.3(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[3-acetyl-5-(cyclopropylcarbamoylamino)-6-(2-pyrimidin-5-ylethynyl)indol-1-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1C2=CC(=C(C=C2)N(CC(C)C)C3CCN(CC3)C(=O)OC(C)(C)C)N

DOS

IR

Vibrations