Geometry & MOs

Info

ID:	314895
PubChem CID:	126623937
Reduced:	BrSN2O4C19H29 (1)
Stoich.:	ABC2D4E19F29 (1)
Weight, g/mol:	349.117489
ΔH_f, kcal/mol:	-175.9
Dipole, Da:	2.59
IP(EA), eV:	-9.16(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-carbamoyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CCN(C1CCN(CC1)C(=O)OC(C)(C)C)C2=C(C(=C(S2)Br)C(=O)OC)C

DOS

IR

Vibrations